1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine

C18H30N2O — CID 141012569

IUPAC1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
SMILESNC1CCN(CCCCOCCCc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c19-18-10-13-20(14-11-18)12-4-5-15-21-16-6-9-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16,19H2
InChIKeyAFKZWYRCMXWXDP-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds9

About 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine

1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine (PubChem CID 141012569) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
PubChem CID141012569
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
SMILESNC1CCN(CCCCOCCCc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c19-18-10-13-20(14-11-18)12-4-5-15-21-16-6-9-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16,19H2
InChIKeyAFKZWYRCMXWXDP-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
1-[3-(dibenzylamino)propyl]piperidin-4-amine
CID 18403417
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201
1-[2-(2-phenylethoxy)ethyl]piperidin-4-one
CID 68828886
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine?
The IUPAC name of 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine (CID 141012569) is 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine?
The canonical SMILES for 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine is NC1CCN(CCCCOCCCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine?
The InChIKey is AFKZWYRCMXWXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c19-18-10-13-20(14-11-18)12-4-5-15-21-16-6-9-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16,19H2.
What are the key properties of 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine?
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine is sourced from PubChem (CID 141012569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).