(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride

C25H37ClN10 — CID 162334300

IUPAC(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
SMILESCC(Nc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1)c1cccc2ccccc12.Cl
InChIInChI=1S/C25H36N10.ClH/c1-15(21-8-4-6-16-5-2-3-7-22(16)21)30-23-31-24(34-11-17(26)9-18(27)12-34)33-25(32-23)35-13-19(28)10-20(29)14-35;/h2-8,15,17-20H,9-14,26-29H2,1H3,(H,30,31,32,33);1H/t15?,17-,18+,19-,20+;
InChIKeyJTEWIPGYUYCLNT-IDYCYGRZSA-N
MW513.09 g/mol
LogP1.35
Rot. Bonds5

About (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride

(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride (PubChem CID 162334300) has the molecular formula C25H37ClN10 and a molecular weight of 513.09 g/mol. Its IUPAC name is (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
PubChem CID162334300
Molecular FormulaC25H37ClN10
Molecular Weight513.09 g/mol
Exact Mass512.29
IUPAC Name(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
SMILESCC(Nc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1)c1cccc2ccccc12.Cl
InChIInChI=1S/C25H36N10.ClH/c1-15(21-8-4-6-16-5-2-3-7-22(16)21)30-23-31-24(34-11-17(26)9-18(27)12-34)33-25(32-23)35-13-19(28)10-20(29)14-35;/h2-8,15,17-20H,9-14,26-29H2,1H3,(H,30,31,32,33);1H/t15?,17-,18+,19-,20+;
InChIKeyJTEWIPGYUYCLNT-IDYCYGRZSA-N
XLogP1.35
TPSA161.26 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.09
LogP ≤ 51.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride with MolForge

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Related Compounds

(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(1-methoxypropan-2-ylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58948876
(1S,2R)-2-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,2-diphenylethanol
CID 69423563
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(2-phenylhydrazinyl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949081
2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine
CID 100936160
N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68781551
N-[4-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride
CID 45263750
N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 67408270
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride
CID 165115822
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine
CID 10577433
(1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine
CID 141396230

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride?
The IUPAC name of (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride (CID 162334300) is (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride.
What is the SMILES notation for (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride?
The canonical SMILES for (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride is CC(Nc1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1)c1cccc2ccccc12.Cl.
What is the InChIKey of (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride?
The InChIKey is JTEWIPGYUYCLNT-IDYCYGRZSA-N. The full InChI is InChI=1S/C25H36N10.ClH/c1-15(21-8-4-6-16-5-2-3-7-22(16)21)30-23-31-24(34-11-17(26)9-18(27)12-34)33-25(32-23)35-13-19(28)10-20(29)14-35;/h2-8,15,17-20H,9-14,26-29H2,1H3,(H,30,31,32,33);1H/t15?,17-,18+,19-,20+;.
What are the key properties of (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride?
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride has a molecular weight of 513.09 g/mol, XLogP of 1.35, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride is sourced from PubChem (CID 162334300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).