1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

C15H30N2O2 — CID 111105900

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CN2CCC(CO)CC2)CC1
InChIInChI=1S/C15H30N2O2/c1-13-2-6-16(7-3-13)10-15(19)11-17-8-4-14(12-18)5-9-17/h13-15,18-19H,2-12H2,1H3
InChIKeyLUJJIGMGYMFYMT-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.78
Rot. Bonds5

About 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 111105900) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID111105900
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CN2CCC(CO)CC2)CC1
InChIInChI=1S/C15H30N2O2/c1-13-2-6-16(7-3-13)10-15(19)11-17-8-4-14(12-18)5-9-17/h13-15,18-19H,2-12H2,1H3
InChIKeyLUJJIGMGYMFYMT-UHFFFAOYSA-N
XLogP0.78
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
[1-[(2S)-2-aminopropyl]piperidin-4-yl]methanol
CID 22689432
1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 60500592
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
CID 111106124
1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol
CID 111799262
(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95309026
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 111439988
1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111116685

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 111105900) is 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)CN2CCC(CO)CC2)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is LUJJIGMGYMFYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13-2-6-16(7-3-13)10-15(19)11-17-8-4-14(12-18)5-9-17/h13-15,18-19H,2-12H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 270.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 111105900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).