4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol

C15H24N2O2 — CID 62221334

IUPAC4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
SMILESCOc1cccc(CN(C)CC2(O)CCNCC2)c1
InChIInChI=1S/C15H24N2O2/c1-17(12-15(18)6-8-16-9-7-15)11-13-4-3-5-14(10-13)19-2/h3-5,10,16,18H,6-9,11-12H2,1-2H3
InChIKeyGMSXQNJNCKDUQT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.24
Rot. Bonds5

About 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol

4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol (PubChem CID 62221334) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
PubChem CID62221334
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
SMILESCOc1cccc(CN(C)CC2(O)CCNCC2)c1
InChIInChI=1S/C15H24N2O2/c1-17(12-15(18)6-8-16-9-7-15)11-13-4-3-5-14(10-13)19-2/h3-5,10,16,18H,6-9,11-12H2,1-2H3
InChIKeyGMSXQNJNCKDUQT-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62221509
4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 55048485
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
1-(3-methoxyphenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62270444
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 77071578
4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
CID 175662545
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol (CID 62221334) is 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol is COc1cccc(CN(C)CC2(O)CCNCC2)c1.
What is the InChIKey of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol?
The InChIKey is GMSXQNJNCKDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(12-15(18)6-8-16-9-7-15)11-13-4-3-5-14(10-13)19-2/h3-5,10,16,18H,6-9,11-12H2,1-2H3.
What are the key properties of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol?
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol has a molecular weight of 264.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol is sourced from PubChem (CID 62221334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).