N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine

C19H32N2 — CID 43104102

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCCN1CCC(C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-8-19(18-9-5-4-6-10-18)20-13-7-14-21-15-11-17(2)12-16-21/h4-6,9-10,17,19-20H,3,7-8,11-16H2,1-2H3
InChIKeyMWWOZIKLLZVRTH-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds8

About N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine

N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine (PubChem CID 43104102) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
PubChem CID43104102
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCCN1CCC(C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-8-19(18-9-5-4-6-10-18)20-13-7-14-21-15-11-17(2)12-16-21/h4-6,9-10,17,19-20H,3,7-8,11-16H2,1-2H3
InChIKeyMWWOZIKLLZVRTH-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
CID 33481434
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine (CID 43104102) is N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine is CCCC(NCCCN1CCC(C)CC1)c1ccccc1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine?
The InChIKey is MWWOZIKLLZVRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-8-19(18-9-5-4-6-10-18)20-13-7-14-21-15-11-17(2)12-16-21/h4-6,9-10,17,19-20H,3,7-8,11-16H2,1-2H3.
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine?
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43104102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).