4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol

C14H21BrN2O — CID 55048485

IUPAC4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
SMILESCN(Cc1ccc(Br)cc1)CC1(O)CCNCC1
InChIInChI=1S/C14H21BrN2O/c1-17(10-12-2-4-13(15)5-3-12)11-14(18)6-8-16-9-7-14/h2-5,16,18H,6-11H2,1H3
InChIKeyPWSKJHJYPXTKOC-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.00
Rot. Bonds4

About 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol

4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol (PubChem CID 55048485) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
PubChem CID55048485
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
SMILESCN(Cc1ccc(Br)cc1)CC1(O)CCNCC1
InChIInChI=1S/C14H21BrN2O/c1-17(10-12-2-4-13(15)5-3-12)11-14(18)6-8-16-9-7-14/h2-5,16,18H,6-11H2,1H3
InChIKeyPWSKJHJYPXTKOC-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
CID 175662545
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62221509
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
CID 65009198
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63534076
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230571
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-1-phenylmethanamine
CID 63122886
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile
CID 65492388

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol (CID 55048485) is 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol is CN(Cc1ccc(Br)cc1)CC1(O)CCNCC1.
What is the InChIKey of 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol?
The InChIKey is PWSKJHJYPXTKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-17(10-12-2-4-13(15)5-3-12)11-14(18)6-8-16-9-7-14/h2-5,16,18H,6-11H2,1H3.
What are the key properties of 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol?
4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol has a molecular weight of 313.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol is sourced from PubChem (CID 55048485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).