1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol

C17H27ClN2O — CID 106836700

IUPAC1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(C)NCc1ccc(Cl)cc1N1CCC(C(C)O)CC1
InChIInChI=1S/C17H27ClN2O/c1-12(2)19-11-15-4-5-16(18)10-17(15)20-8-6-14(7-9-20)13(3)21/h4-5,10,12-14,19,21H,6-9,11H2,1-3H3
InChIKeyMYGPPSCCYMTVQC-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.44
Rot. Bonds5

About 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol

1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol (PubChem CID 106836700) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
PubChem CID106836700
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(C)NCc1ccc(Cl)cc1N1CCC(C(C)O)CC1
InChIInChI=1S/C17H27ClN2O/c1-12(2)19-11-15-4-5-16(18)10-17(15)20-8-6-14(7-9-20)13(3)21/h4-5,10,12-14,19,21H,6-9,11H2,1-3H3
InChIKeyMYGPPSCCYMTVQC-UHFFFAOYSA-N
XLogP3.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 114849158
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 114848744
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499433
[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848729
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 114847185
N-[[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 114853445
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686
[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 114847856
8-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114851448

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol (CID 106836700) is 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol is CC(C)NCc1ccc(Cl)cc1N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol?
The InChIKey is MYGPPSCCYMTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-12(2)19-11-15-4-5-16(18)10-17(15)20-8-6-14(7-9-20)13(3)21/h4-5,10,12-14,19,21H,6-9,11H2,1-3H3.
What are the key properties of 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol?
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol has a molecular weight of 310.87 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).