4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol

C13H21N3O — CID 62221509

IUPAC4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
SMILESCN(Cc1ccncc1)CC1(O)CCNCC1
InChIInChI=1S/C13H21N3O/c1-16(10-12-2-6-14-7-3-12)11-13(17)4-8-15-9-5-13/h2-3,6-7,15,17H,4-5,8-11H2,1H3
InChIKeyBGHSABFXODZPGC-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.63
Rot. Bonds4

About 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol

4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol (PubChem CID 62221509) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
PubChem CID62221509
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
SMILESCN(Cc1ccncc1)CC1(O)CCNCC1
InChIInChI=1S/C13H21N3O/c1-16(10-12-2-6-14-7-3-12)11-13(17)4-8-15-9-5-13/h2-3,6-7,15,17H,4-5,8-11H2,1H3
InChIKeyBGHSABFXODZPGC-UHFFFAOYSA-N
XLogP0.63
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62222040
4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 55048485
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
CID 175662545
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
N-cyclopropyl-4-ethyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 63128438
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-4-ol
CID 55048388
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 118740283
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-1-phenylmethanamine
CID 63122886
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxane-4-carboxylic acid
CID 62392237
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol (CID 62221509) is 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol is CN(Cc1ccncc1)CC1(O)CCNCC1.
What is the InChIKey of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol?
The InChIKey is BGHSABFXODZPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(10-12-2-6-14-7-3-12)11-13(17)4-8-15-9-5-13/h2-3,6-7,15,17H,4-5,8-11H2,1H3.
What are the key properties of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol?
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol has a molecular weight of 235.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 62221509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).