N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine

C16H27N3 — CID 43586115

IUPACN,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
SMILESCNC(C)c1ccc(N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C16H27N3/c1-13(17-2)14-5-7-16(8-6-14)19-11-9-15(10-12-19)18(3)4/h5-8,13,15,17H,9-12H2,1-4H3
InChIKeyPYSZQPVLONIMOL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.50
Rot. Bonds4

About N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine

N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine (PubChem CID 43586115) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
PubChem CID43586115
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
SMILESCNC(C)c1ccc(N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C16H27N3/c1-13(17-2)14-5-7-16(8-6-14)19-11-9-15(10-12-19)18(3)4/h5-8,13,15,17H,9-12H2,1-4H3
InChIKeyPYSZQPVLONIMOL-UHFFFAOYSA-N
XLogP2.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
CID 43284297
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 55189063
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
5-[4-(dimethylamino)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600608
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine
CID 63059689
N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
CID 43614157
1-[4-(chloromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586241
[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590379
N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 106314718

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine (CID 43586115) is N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine is CNC(C)c1ccc(N2CCC(N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine?
The InChIKey is PYSZQPVLONIMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(17-2)14-5-7-16(8-6-14)19-11-9-15(10-12-19)18(3)4/h5-8,13,15,17H,9-12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine?
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine is sourced from PubChem (CID 43586115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).