N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine

C17H28N2 — CID 54906460

IUPACN-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine
SMILESCC(C)(C)CC(NC1CCNCC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-17(2,3)13-16(14-7-5-4-6-8-14)19-15-9-11-18-12-10-15/h4-8,15-16,18-19H,9-13H2,1-3H3
InChIKeyHUTHHYRRHKLLSM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds4

About N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine

N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine (PubChem CID 54906460) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine
PubChem CID54906460
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine
SMILESCC(C)(C)CC(NC1CCNCC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-17(2,3)13-16(14-7-5-4-6-8-14)19-15-9-11-18-12-10-15/h4-8,15-16,18-19H,9-13H2,1-3H3
InChIKeyHUTHHYRRHKLLSM-UHFFFAOYSA-N
XLogP3.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)azepan-4-amine
CID 103981437
N-(3,3-dimethyl-1-phenylbutyl)-1,1-dioxothian-4-amine
CID 43740500
N-(3,3-dimethyl-1-phenylbutyl)-3-methylcyclopentan-1-amine
CID 64502336
N-(3,3-dimethyl-1-phenylbutyl)oxolan-3-amine
CID 63335747
N-(3,3-dimethyl-1-phenylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64746392
N-(3,3-dimethyl-1-phenylbutyl)-3-methoxycyclopentan-1-amine
CID 103082894
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
CID 79724005
N-(3,3-dimethyl-1-phenylbutyl)-2,6-dimethylcyclohexan-1-amine
CID 43740445
N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
CID 63462773
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
N-(3,3-dimethyl-1-phenylbutyl)-2-methoxycyclopentan-1-amine
CID 62087135

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine (CID 54906460) is N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine is CC(C)(C)CC(NC1CCNCC1)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine?
The InChIKey is HUTHHYRRHKLLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)13-16(14-7-5-4-6-8-14)19-15-9-11-18-12-10-15/h4-8,15-16,18-19H,9-13H2,1-3H3.
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine?
N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine is sourced from PubChem (CID 54906460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).