[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C21H35N5O — CID 133454449

IUPAC[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(N3CCCC(N4CCCCCC4)C3)ncn2)C1
InChIInChI=1S/C21H35N5O/c27-16-18-7-5-11-25(14-18)20-13-21(23-17-22-20)26-12-6-8-19(15-26)24-9-3-1-2-4-10-24/h13,17-19,27H,1-12,14-16H2
InChIKeyPFOVVBVPNIXOLC-UHFFFAOYSA-N
MW373.55 g/mol
LogP2.53
Rot. Bonds4

About [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133454449) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133454449
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(N3CCCC(N4CCCCCC4)C3)ncn2)C1
InChIInChI=1S/C21H35N5O/c27-16-18-7-5-11-25(14-18)20-13-21(23-17-22-20)26-12-6-8-19(15-26)24-9-3-1-2-4-10-24/h13,17-19,27H,1-12,14-16H2
InChIKeyPFOVVBVPNIXOLC-UHFFFAOYSA-N
XLogP2.53
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100838350
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133299161
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
CID 133381541
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
[1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133439246
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]hydrazine
CID 80929365
[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133406867
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 120964085

Frequently Asked Questions

What is the IUPAC name of [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133454449) is [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(N3CCCC(N4CCCCCC4)C3)ncn2)C1.
What is the InChIKey of [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is PFOVVBVPNIXOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c27-16-18-7-5-11-25(14-18)20-13-21(23-17-22-20)26-12-6-8-19(15-26)24-9-3-1-2-4-10-24/h13,17-19,27H,1-12,14-16H2.
What are the key properties of [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 373.55 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133454449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).