1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine

C18H26N2O2 — CID 54551418

IUPAC1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
SMILESCOc1ccc(C=NN2CCCCC2)cc1OC1CCCC1
InChIInChI=1S/C18H26N2O2/c1-21-17-10-9-15(14-19-20-11-5-2-6-12-20)13-18(17)22-16-7-3-4-8-16/h9-10,13-14,16H,2-8,11-12H2,1H3
InChIKeyZKDWHOZBNBVATC-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine

1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine (PubChem CID 54551418) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
PubChem CID54551418
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
SMILESCOc1ccc(C=NN2CCCCC2)cc1OC1CCCC1
InChIInChI=1S/C18H26N2O2/c1-21-17-10-9-15(14-19-20-11-5-2-6-12-20)13-18(17)22-16-7-3-4-8-16/h9-10,13-14,16H,2-8,11-12H2,1H3
InChIKeyZKDWHOZBNBVATC-UHFFFAOYSA-N
XLogP3.84
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
CID 110173499
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 869996
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 10106724
(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
CID 6902534
(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride
CID 173248162
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-(morpholin-4-ylamino)propan-2-ol
CID 118711357
(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
CID 44541895
N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
CID 163716487

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine (CID 54551418) is 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine is COc1ccc(C=NN2CCCCC2)cc1OC1CCCC1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine?
The InChIKey is ZKDWHOZBNBVATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-21-17-10-9-15(14-19-20-11-5-2-6-12-20)13-18(17)22-16-7-3-4-8-16/h9-10,13-14,16H,2-8,11-12H2,1H3.
What are the key properties of 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine?
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine has a molecular weight of 302.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 54551418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).