[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol

C16H26N2O — CID 107230971

IUPAC[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
SMILESCN1CCCCC1CCNCc1ccc(CO)cc1
InChIInChI=1S/C16H26N2O/c1-18-11-3-2-4-16(18)9-10-17-12-14-5-7-15(13-19)8-6-14/h5-8,16-17,19H,2-4,9-13H2,1H3
InChIKeyITDQGEDAKKNVHQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.14
Rot. Bonds6

About [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol

[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol (PubChem CID 107230971) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
PubChem CID107230971
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
SMILESCN1CCCCC1CCNCc1ccc(CO)cc1
InChIInChI=1S/C16H26N2O/c1-18-11-3-2-4-16(18)9-10-17-12-14-5-7-15(13-19)8-6-14/h5-8,16-17,19H,2-4,9-13H2,1H3
InChIKeyITDQGEDAKKNVHQ-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60688002
3-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]benzonitrile
CID 55066732
N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 102569971
N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 114136966
N-[(5-bromothiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416869
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416479
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 107913082
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62414895
2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64912841

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol (CID 107230971) is [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol is CN1CCCCC1CCNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol?
The InChIKey is ITDQGEDAKKNVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18-11-3-2-4-16(18)9-10-17-12-14-5-7-15(13-19)8-6-14/h5-8,16-17,19H,2-4,9-13H2,1H3.
What are the key properties of [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol?
[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol has a molecular weight of 262.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).