1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol

C17H28N4O2 — CID 138996094

IUPAC1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C17H28N4O2/c1-20(12-17(23)6-2-3-7-17)15-9-16(19-13-18-15)21-8-4-5-14(10-21)11-22/h9,13-14,22-23H,2-8,10-12H2,1H3
InChIKeyMDNZSPOCUXEUPP-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.43
Rot. Bonds5

About 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol

1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 138996094) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID138996094
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C17H28N4O2/c1-20(12-17(23)6-2-3-7-17)15-9-16(19-13-18-15)21-8-4-5-14(10-21)11-22/h9,13-14,22-23H,2-8,10-12H2,1H3
InChIKeyMDNZSPOCUXEUPP-UHFFFAOYSA-N
XLogP1.43
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
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[1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[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-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133463281
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
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[1-[6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 167944213
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol (CID 138996094) is 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1cc(N2CCCC(CO)C2)ncn1.
What is the InChIKey of 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MDNZSPOCUXEUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(12-17(23)6-2-3-7-17)15-9-16(19-13-18-15)21-8-4-5-14(10-21)11-22/h9,13-14,22-23H,2-8,10-12H2,1H3.
What are the key properties of 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 320.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 138996094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).