1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine

C15H25N3 — CID 55189063

IUPAC1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
SMILESC[C@H](N)c1ccc(N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C15H25N3/c1-12(16)13-4-6-15(7-5-13)18-10-8-14(9-11-18)17(2)3/h4-7,12,14H,8-11,16H2,1-3H3/t12-/m0/s1
InChIKeyLWCFGDZZUZMDEZ-LBPRGKRZSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine

1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 55189063) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID55189063
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
SMILESC[C@H](N)c1ccc(N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C15H25N3/c1-12(16)13-4-6-15(7-5-13)18-10-8-14(9-11-18)17(2)3/h4-7,12,14H,8-11,16H2,1-3H3/t12-/m0/s1
InChIKeyLWCFGDZZUZMDEZ-LBPRGKRZSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 63368975
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463769
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816
[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
1-[4-(chloromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586241

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine (CID 55189063) is 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine is C[C@H](N)c1ccc(N2CCC(N(C)C)CC2)cc1.
What is the InChIKey of 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is LWCFGDZZUZMDEZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(16)13-4-6-15(7-5-13)18-10-8-14(9-11-18)17(2)3/h4-7,12,14H,8-11,16H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine?
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 55189063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).