1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol

C15H24N2O — CID 103959062

IUPAC1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
SMILESCC[C@H](N)c1ccccc1N1CCC(C)(O)CC1
InChIInChI=1S/C15H24N2O/c1-3-13(16)12-6-4-5-7-14(12)17-10-8-15(2,18)9-11-17/h4-7,13,18H,3,8-11,16H2,1-2H3/t13-/m0/s1
InChIKeyYIJUHBSGIRMCOP-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.45
Rot. Bonds3

About 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol

1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol (PubChem CID 103959062) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
PubChem CID103959062
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
SMILESCC[C@H](N)c1ccccc1N1CCC(C)(O)CC1
InChIInChI=1S/C15H24N2O/c1-3-13(16)12-6-4-5-7-14(12)17-10-8-15(2,18)9-11-17/h4-7,13,18H,3,8-11,16H2,1-2H3/t13-/m0/s1
InChIKeyYIJUHBSGIRMCOP-ZDUSSCGKSA-N
XLogP2.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103959036
(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-amine
CID 103958889
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358840
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103959060
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 107393064
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
1-(2-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
CID 113392760
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol (CID 103959062) is 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol is CC[C@H](N)c1ccccc1N1CCC(C)(O)CC1.
What is the InChIKey of 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol?
The InChIKey is YIJUHBSGIRMCOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-13(16)12-6-4-5-7-14(12)17-10-8-15(2,18)9-11-17/h4-7,13,18H,3,8-11,16H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol?
1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol has a molecular weight of 248.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 103959062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).