N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

C18H30N2 — CID 62930308

IUPACN-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(CN2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H30N2/c1-15(2)19-13-16-6-5-7-17(12-16)14-20-10-8-18(3,4)9-11-20/h5-7,12,15,19H,8-11,13-14H2,1-4H3
InChIKeyWVWDKOLOSJLZJT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds5

About N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 62930308) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID62930308
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(CN2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H30N2/c1-15(2)19-13-16-6-5-7-17(12-16)14-20-10-8-18(3,4)9-11-20/h5-7,12,15,19H,8-11,13-14H2,1-4H3
InChIKeyWVWDKOLOSJLZJT-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 65286612
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069
N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62426943
1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 63457847
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 63163114
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 83221641
N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine
CID 62460740
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 62930308) is N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(CN2CCC(C)(C)CC2)c1.
What is the InChIKey of N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is WVWDKOLOSJLZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)19-13-16-6-5-7-17(12-16)14-20-10-8-18(3,4)9-11-20/h5-7,12,15,19H,8-11,13-14H2,1-4H3.
What are the key properties of N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62930308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).