N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine

C18H31N3 — CID 63059689

IUPACN,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine
SMILESCC(C)CNCc1ccc(N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-15(2)13-19-14-16-5-7-18(8-6-16)21-11-9-17(10-12-21)20(3)4/h5-8,15,17,19H,9-14H2,1-4H3
InChIKeyXLUIBDTVPQFQSH-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.96
Rot. Bonds6

About N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine

N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine (PubChem CID 63059689) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine
PubChem CID63059689
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine
SMILESCC(C)CNCc1ccc(N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-15(2)13-19-14-16-5-7-18(8-6-16)21-11-9-17(10-12-21)20(3)4/h5-8,15,17,19H,9-14H2,1-4H3
InChIKeyXLUIBDTVPQFQSH-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.96
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

2-methyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722137
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63059986
1-[4-(chloromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586241
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
N-[[4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457020
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 55189063
N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
CID 80638573
N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine
CID 62432812
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine (CID 63059689) is N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine is CC(C)CNCc1ccc(N2CCC(N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine?
The InChIKey is XLUIBDTVPQFQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)13-19-14-16-5-7-18(8-6-16)21-11-9-17(10-12-21)20(3)4/h5-8,15,17,19H,9-14H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine?
N,N-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.96, 6 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-[(2-methylpropylamino)methyl]phenyl]piperidin-4-amine is sourced from PubChem (CID 63059689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).