1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine

C18H30N2O — CID 174919829

IUPAC1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine
SMILESCCCCN1CC(NOCc2ccccc2)CCC1CC
InChIInChI=1S/C18H30N2O/c1-3-5-13-20-14-17(11-12-18(20)4-2)19-21-15-16-9-7-6-8-10-16/h6-10,17-19H,3-5,11-15H2,1-2H3
InChIKeyPJMADKLMODEPCH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.75
Rot. Bonds8

About 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine

1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine (PubChem CID 174919829) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine.

Molecular Properties

Compound Name1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine
PubChem CID174919829
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine
SMILESCCCCN1CC(NOCc2ccccc2)CCC1CC
InChIInChI=1S/C18H30N2O/c1-3-5-13-20-14-17(11-12-18(20)4-2)19-21-15-16-9-7-6-8-10-16/h6-10,17-19H,3-5,11-15H2,1-2H3
InChIKeyPJMADKLMODEPCH-UHFFFAOYSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-phenylmethoxypiperidin-3-amine
CID 82710116
2-[(2S,5R)-1-iodo-5-(phenylmethoxyamino)piperidin-2-yl]ethane-1,1-diol
CID 166868059
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
CID 130528313
1-butyl-2-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 175678790
2-benzyl-1-octylaziridine
CID 102467094
(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
CID 169438097
(6R,8aS)-6-(phenylmethoxyamino)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 146406703
(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
2-ethyl-N-phenylmethoxyoxan-4-amine
CID 82708858
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
CID 64974306
(1R,2R,5S)-6-benzyl-8-butyl-2-phenylmethoxy-6,8-diazabicyclo[3.2.2]nonane
CID 23661083
1-phenyl-N-phenylmethoxypiperidin-4-amine
CID 106820391

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine?
The IUPAC name of 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine (CID 174919829) is 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine.
What is the SMILES notation for 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine?
The canonical SMILES for 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine is CCCCN1CC(NOCc2ccccc2)CCC1CC.
What is the InChIKey of 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine?
The InChIKey is PJMADKLMODEPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-13-20-14-17(11-12-18(20)4-2)19-21-15-16-9-7-6-8-10-16/h6-10,17-19H,3-5,11-15H2,1-2H3.
What are the key properties of 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine?
1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine is sourced from PubChem (CID 174919829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).