[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol

C16H26N2O — CID 107229716

IUPAC[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
SMILESCC(CC1CCCCN1)NCc1cccc(CO)c1
InChIInChI=1S/C16H26N2O/c1-13(9-16-7-2-3-8-17-16)18-11-14-5-4-6-15(10-14)12-19/h4-6,10,13,16-19H,2-3,7-9,11-12H2,1H3
InChIKeyDUGSJUBPEPTUAC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds6

About [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol

[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol (PubChem CID 107229716) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
PubChem CID107229716
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
SMILESCC(CC1CCCCN1)NCc1cccc(CO)c1
InChIInChI=1S/C16H26N2O/c1-13(9-16-7-2-3-8-17-16)18-11-14-5-4-6-15(10-14)12-19/h4-6,10,13,16-19H,2-3,7-9,11-12H2,1H3
InChIKeyDUGSJUBPEPTUAC-UHFFFAOYSA-N
XLogP2.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79537589
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
CID 79540029
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzonitrile
CID 79541717
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
CID 107229692
N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538390
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 121367800
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
CID 82710017
[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741

Frequently Asked Questions

What is the IUPAC name of [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol (CID 107229716) is [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol is CC(CC1CCCCN1)NCc1cccc(CO)c1.
What is the InChIKey of [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol?
The InChIKey is DUGSJUBPEPTUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(9-16-7-2-3-8-17-16)18-11-14-5-4-6-15(10-14)12-19/h4-6,10,13,16-19H,2-3,7-9,11-12H2,1H3.
What are the key properties of [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol?
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol has a molecular weight of 262.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107229716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).