4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline

C18H28N2O — CID 62656703

IUPAC4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-20-13-5-4-6-16(20)14-19-15-9-11-18(12-10-15)21-17-7-2-3-8-17/h9-12,16-17,19H,2-8,13-14H2,1H3
InChIKeyZFHJIGKVIKTMNU-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.90
Rot. Bonds5

About 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline

4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline (PubChem CID 62656703) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
PubChem CID62656703
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-20-13-5-4-6-16(20)14-19-15-9-11-18(12-10-15)21-17-7-2-3-8-17/h9-12,16-17,19H,2-8,13-14H2,1H3
InChIKeyZFHJIGKVIKTMNU-UHFFFAOYSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.90
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

4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63445652
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
4-cyclopentyloxy-N-prop-2-ynylaniline
CID 63953479
N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline
CID 63421140
N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62655654
2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107678243
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline (CID 62656703) is 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline is CN1CCCCC1CNc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is ZFHJIGKVIKTMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20-13-5-4-6-16(20)14-19-15-9-11-18(12-10-15)21-17-7-2-3-8-17/h9-12,16-17,19H,2-8,13-14H2,1H3.
What are the key properties of 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline?
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 288.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 62656703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).