N-ethyl-N-(3-phenylbutyl)piperidin-3-amine

C17H28N2 — CID 63636544

IUPACN-ethyl-N-(3-phenylbutyl)piperidin-3-amine
SMILESCCN(CCC(C)c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H28N2/c1-3-19(17-10-7-12-18-14-17)13-11-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-14H2,1-2H3
InChIKeyYMNPUKXLWRFFPC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.25
Rot. Bonds6

About N-ethyl-N-(3-phenylbutyl)piperidin-3-amine

N-ethyl-N-(3-phenylbutyl)piperidin-3-amine (PubChem CID 63636544) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-N-(3-phenylbutyl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-phenylbutyl)piperidin-3-amine
PubChem CID63636544
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-N-(3-phenylbutyl)piperidin-3-amine
SMILESCCN(CCC(C)c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H28N2/c1-3-19(17-10-7-12-18-14-17)13-11-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-14H2,1-2H3
InChIKeyYMNPUKXLWRFFPC-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid
CID 64560977
N-(1-phenylpropyl)-N-propylpiperidin-3-amine
CID 63638122
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine
CID 55245884
N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 63637300
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-phenylbutyl)piperidin-3-amine?
The IUPAC name of N-ethyl-N-(3-phenylbutyl)piperidin-3-amine (CID 63636544) is N-ethyl-N-(3-phenylbutyl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-(3-phenylbutyl)piperidin-3-amine?
The canonical SMILES for N-ethyl-N-(3-phenylbutyl)piperidin-3-amine is CCN(CCC(C)c1ccccc1)C1CCCNC1.
What is the InChIKey of N-ethyl-N-(3-phenylbutyl)piperidin-3-amine?
The InChIKey is YMNPUKXLWRFFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-19(17-10-7-12-18-14-17)13-11-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-14H2,1-2H3.
What are the key properties of N-ethyl-N-(3-phenylbutyl)piperidin-3-amine?
N-ethyl-N-(3-phenylbutyl)piperidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-phenylbutyl)piperidin-3-amine is sourced from PubChem (CID 63636544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).