[1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol

C19H36N10O — CID 58948956

IUPAC[1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESN[C@@H]1C[C@H](N)CN(c2nc(N3CCC(CO)CC3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1
InChIInChI=1S/C19H36N10O/c20-13-5-14(21)8-28(7-13)18-24-17(27-3-1-12(11-30)2-4-27)25-19(26-18)29-9-15(22)6-16(23)10-29/h12-16,30H,1-11,20-23H2/t13-,14+,15-,16+
InChIKeyZWSXBBDVMFBOJL-GEEKYZPCSA-N
MW420.57 g/mol
LogP-2.19
Rot. Bonds4

About [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol

[1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58948956) has the molecular formula C19H36N10O and a molecular weight of 420.57 g/mol. Its IUPAC name is [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID58948956
Molecular FormulaC19H36N10O
Molecular Weight420.57 g/mol
Exact Mass420.31
IUPAC Name[1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESN[C@@H]1C[C@H](N)CN(c2nc(N3CCC(CO)CC3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1
InChIInChI=1S/C19H36N10O/c20-13-5-14(21)8-28(7-13)18-24-17(27-3-1-12(11-30)2-4-27)25-19(26-18)29-9-15(22)6-16(23)10-29/h12-16,30H,1-11,20-23H2/t13-,14+,15-,16+
InChIKeyZWSXBBDVMFBOJL-GEEKYZPCSA-N
XLogP-2.19
TPSA172.70 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.57
LogP ≤ 5-2.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Launch Full Analysis

Related Compounds

[1-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 80757087
3-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 58865494
[1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 80757183
1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-3-ol;hydrochloride
CID 162338484
1-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3-carboxylic acid
CID 69425487
1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103664
(3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 140519096
[1-(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 115967487
[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757297
[1-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 115965991
(3R,5S)-1-[4-(3-aminopropylamino)-6-[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58865845
[1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
CID 70778972

Frequently Asked Questions

What is the IUPAC name of [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 58948956) is [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is N[C@@H]1C[C@H](N)CN(c2nc(N3CCC(CO)CC3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1.
What is the InChIKey of [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is ZWSXBBDVMFBOJL-GEEKYZPCSA-N. The full InChI is InChI=1S/C19H36N10O/c20-13-5-14(21)8-28(7-13)18-24-17(27-3-1-12(11-30)2-4-27)25-19(26-18)29-9-15(22)6-16(23)10-29/h12-16,30H,1-11,20-23H2/t13-,14+,15-,16+.
What are the key properties of [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 420.57 g/mol, XLogP of -2.19, 4 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58948956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).