1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine

C17H26N2O — CID 65461452

IUPAC1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OCC1CCC1
InChIInChI=1S/C17H26N2O/c1-13-10-16(19-9-3-6-15(18)11-19)7-8-17(13)20-12-14-4-2-5-14/h7-8,10,14-15H,2-6,9,11-12,18H2,1H3
InChIKeyNBKPHZROYBYBRB-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.10
Rot. Bonds4

About 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine

1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine (PubChem CID 65461452) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine
PubChem CID65461452
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OCC1CCC1
InChIInChI=1S/C17H26N2O/c1-13-10-16(19-9-3-6-15(18)11-19)7-8-17(13)20-12-14-4-2-5-14/h7-8,10,14-15H,2-6,9,11-12,18H2,1H3
InChIKeyNBKPHZROYBYBRB-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
N-(5-Acetylamino-2-methoxy-benzyl)-2-morpholin-4-yl-acetamide
CID 831396
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
CID 892164
Acetamide, N-(4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55424
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
N-[3-Benzyl-4-(3-isopropylamino-propoxy)-phenyl]-propionamide
CID 10316137
(S)-2-Amino-1-{4-[(4-benzyloxy-phenyl)-(3-methyl-but-2-enyl)-amino]-piperidin-1-yl}-4-methyl-pentan-1-one
CID 10004622
3-Allyl-4-(3-isopropylamino-propoxy)-phenylamine
CID 10332272

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine?
The IUPAC name of 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine (CID 65461452) is 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine.
What is the SMILES notation for 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine?
The canonical SMILES for 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine is Cc1cc(N2CCCC(N)C2)ccc1OCC1CCC1.
What is the InChIKey of 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine?
The InChIKey is NBKPHZROYBYBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-10-16(19-9-3-6-15(18)11-19)7-8-17(13)20-12-14-4-2-5-14/h7-8,10,14-15H,2-6,9,11-12,18H2,1H3.
What are the key properties of 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine?
1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine is sourced from PubChem (CID 65461452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).