N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine

C18H30N2 — CID 114333870

IUPACN-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-19-16-18-11-14-20(15-12-18)13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3
InChIKeyDXHOMWANKPVXLW-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds8

About N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 114333870) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
PubChem CID114333870
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-19-16-18-11-14-20(15-12-18)13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3
InChIKeyDXHOMWANKPVXLW-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.33
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

methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
N-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]acetamide
CID 142597068
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
CID 102940753
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde
CID 142596902
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine (CID 114333870) is N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(CCCCc2ccccc2)CC1.
What is the InChIKey of N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is DXHOMWANKPVXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-19-16-18-11-14-20(15-12-18)13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3.
What are the key properties of N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 114333870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).