1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine

C17H28N2 — CID 62937541

IUPAC1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(C(C)N)N2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H28N2/c1-13-6-5-7-15(12-13)16(14(2)18)19-10-8-17(3,4)9-11-19/h5-7,12,14,16H,8-11,18H2,1-4H3
InChIKeyLDECHCGZKSSCHV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds3

About 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine

1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine (PubChem CID 62937541) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
PubChem CID62937541
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(C(C)N)N2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H28N2/c1-13-6-5-7-15(12-13)16(14(2)18)19-10-8-17(3,4)9-11-19/h5-7,12,14,16H,8-11,18H2,1-4H3
InChIKeyLDECHCGZKSSCHV-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859
1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 107390702
1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 79188749
4-[2-amino-1-(3-methylphenyl)propyl]piperazine-2,6-dione
CID 66085437
1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine
CID 62935813
1-[2-amino-1-(3-methylphenyl)propyl]-1,4-diazepan-5-one
CID 55136222
1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 62935470
1-(4,4-dimethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 62937540
1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol
CID 103355450
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-(3-methoxyphenyl)propan-2-amine
CID 107453357
3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120774495
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine
CID 63215904

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine (CID 62937541) is 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine is Cc1cccc(C(C(C)N)N2CCC(C)(C)CC2)c1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
The InChIKey is LDECHCGZKSSCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-6-5-7-15(12-13)16(14(2)18)19-10-8-17(3,4)9-11-19/h5-7,12,14,16H,8-11,18H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 62937541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).