N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine

C17H28N2 — CID 103779062

IUPACN-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
SMILESCC(C)(C)CCNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)11-12-18-15-9-13-19(14-10-15)16-7-5-4-6-8-16/h4-8,15,18H,9-14H2,1-3H3
InChIKeyBPZVXLSECCHVNM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.68
Rot. Bonds4

About N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine

N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine (PubChem CID 103779062) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
PubChem CID103779062
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
SMILESCC(C)(C)CCNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)11-12-18-15-9-13-19(14-10-15)16-7-5-4-6-8-16/h4-8,15,18H,9-14H2,1-3H3
InChIKeyBPZVXLSECCHVNM-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
CID 103904032
N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine
CID 102613559
N-but-2-ynyl-1-phenylpiperidin-4-amine
CID 103905898
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743
N-[(2-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103775963
N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine
CID 103776355
4-tert-butyl-1-phenylpiperidine
CID 612454

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine (CID 103779062) is N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine is CC(C)(C)CCNC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine?
The InChIKey is BPZVXLSECCHVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)11-12-18-15-9-13-19(14-10-15)16-7-5-4-6-8-16/h4-8,15,18H,9-14H2,1-3H3.
What are the key properties of N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine?
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103779062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).