[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol

C18H30N2O — CID 97336840

IUPAC[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
SMILESCC(C)CN1CCC(N[C@@H](C)c2cccc(CO)c2)CC1
InChIInChI=1S/C18H30N2O/c1-14(2)12-20-9-7-18(8-10-20)19-15(3)17-6-4-5-16(11-17)13-21/h4-6,11,14-15,18-19,21H,7-10,12-13H2,1-3H3/t15-/m0/s1
InChIKeyJXSHDVAQRAFKTB-HNNXBMFYSA-N
MW290.45 g/mol
LogP2.95
Rot. Bonds6

About [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol

[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol (PubChem CID 97336840) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
PubChem CID97336840
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
SMILESCC(C)CN1CCC(N[C@@H](C)c2cccc(CO)c2)CC1
InChIInChI=1S/C18H30N2O/c1-14(2)12-20-9-7-18(8-10-20)19-15(3)17-6-4-5-16(11-17)13-21/h4-6,11,14-15,18-19,21H,7-10,12-13H2,1-3H3/t15-/m0/s1
InChIKeyJXSHDVAQRAFKTB-HNNXBMFYSA-N
XLogP2.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
1-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 103775855
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 124588776
1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
CID 81369214
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81381712
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81369741
methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
CID 91648625

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol?
The IUPAC name of [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol (CID 97336840) is [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol.
What is the SMILES notation for [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol?
The canonical SMILES for [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol is CC(C)CN1CCC(N[C@@H](C)c2cccc(CO)c2)CC1.
What is the InChIKey of [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol?
The InChIKey is JXSHDVAQRAFKTB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)12-20-9-7-18(8-10-20)19-15(3)17-6-4-5-16(11-17)13-21/h4-6,11,14-15,18-19,21H,7-10,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol?
[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol has a molecular weight of 290.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol is sourced from PubChem (CID 97336840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).