(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

C17H34N10 — CID 21104281

IUPAC(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESCCN(CC)c1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C17H34N10/c1-3-25(4-2)15-22-16(26-7-11(18)5-12(19)8-26)24-17(23-15)27-9-13(20)6-14(21)10-27/h11-14H,3-10,18-21H2,1-2H3/t11-,12+,13-,14+
InChIKeyBWNATIRWZWTLNZ-KPWCQOOUSA-N
MW378.53 g/mol
LogP-1.55
Rot. Bonds5

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

(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 21104281) has the molecular formula C17H34N10 and a molecular weight of 378.53 g/mol. Its IUPAC name is (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID21104281
Molecular FormulaC17H34N10
Molecular Weight378.53 g/mol
Exact Mass378.30
IUPAC Name(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESCCN(CC)c1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C17H34N10/c1-3-25(4-2)15-22-16(26-7-11(18)5-12(19)8-26)24-17(23-15)27-9-13(20)6-14(21)10-27/h11-14H,3-10,18-21H2,1-2H3/t11-,12+,13-,14+
InChIKeyBWNATIRWZWTLNZ-KPWCQOOUSA-N
XLogP-1.55
TPSA152.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.53
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 21104281) is (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is CCN(CC)c1nc(N2C[C@H](N)C[C@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1.
What is the InChIKey of (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is BWNATIRWZWTLNZ-KPWCQOOUSA-N. The full InChI is InChI=1S/C17H34N10/c1-3-25(4-2)15-22-16(26-7-11(18)5-12(19)8-26)24-17(23-15)27-9-13(20)6-14(21)10-27/h11-14H,3-10,18-21H2,1-2H3/t11-,12+,13-,14+.
What are the key properties of (3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 378.53 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 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-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 21104281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).