(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine

C16H26N2O — CID 107393064

IUPAC(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1N1CCCC(C)(OC)C1
InChIInChI=1S/C16H26N2O/c1-4-14(17)13-8-5-6-9-15(13)18-11-7-10-16(2,12-18)19-3/h5-6,8-9,14H,4,7,10-12,17H2,1-3H3/t14-,16?/m0/s1
InChIKeyCCKHLUBUEZZNRW-LBAUFKAWSA-N
MW262.40 g/mol
LogP3.10
Rot. Bonds4

About (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine

(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine (PubChem CID 107393064) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine
PubChem CID107393064
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1N1CCCC(C)(OC)C1
InChIInChI=1S/C16H26N2O/c1-4-14(17)13-8-5-6-9-15(13)18-11-7-10-16(2,12-18)19-3/h5-6,8-9,14H,4,7,10-12,17H2,1-3H3/t14-,16?/m0/s1
InChIKeyCCKHLUBUEZZNRW-LBAUFKAWSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358840
(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103959036
1-[2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 107395892
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-amine
CID 103958889
1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
CID 103959062
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
CID 107393087
(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 104921336
2-(3-methoxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarbothioamide
CID 107392715

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine (CID 107393064) is (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1N1CCCC(C)(OC)C1.
What is the InChIKey of (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine?
The InChIKey is CCKHLUBUEZZNRW-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14(17)13-8-5-6-9-15(13)18-11-7-10-16(2,12-18)19-3/h5-6,8-9,14H,4,7,10-12,17H2,1-3H3/t14-,16?/m0/s1.
What are the key properties of (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine?
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 107393064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).