N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine

C32H45N3 — CID 10504604

IUPACN-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine
SMILESC(=N/C(CC1CCCCCC1)c1ccccc1N1CCCCC1)\c1ccccc1N1CCCCC1
InChIInChI=1S/C32H45N3/c1-2-6-16-27(15-5-1)25-30(29-18-8-10-20-32(29)35-23-13-4-14-24-35)33-26-28-17-7-9-19-31(28)34-21-11-3-12-22-34/h7-10,17-20,26-27,30H,1-6,11-16,21-25H2/b33-26+
InChIKeyKOMGIRVBPDHABL-MHTZHOPKSA-N
MW471.73 g/mol
LogP8.19
Rot. Bonds7

About N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine

N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine (PubChem CID 10504604) has the molecular formula C32H45N3 and a molecular weight of 471.73 g/mol. Its IUPAC name is N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine
PubChem CID10504604
Molecular FormulaC32H45N3
Molecular Weight471.73 g/mol
Exact Mass471.36
IUPAC NameN-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine
SMILESC(=N/C(CC1CCCCCC1)c1ccccc1N1CCCCC1)\c1ccccc1N1CCCCC1
InChIInChI=1S/C32H45N3/c1-2-6-16-27(15-5-1)25-30(29-18-8-10-20-32(29)35-23-13-4-14-24-35)33-26-28-17-7-9-19-31(28)34-21-11-3-12-22-34/h7-10,17-20,26-27,30H,1-6,11-16,21-25H2/b33-26+
InChIKeyKOMGIRVBPDHABL-MHTZHOPKSA-N
XLogP8.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.73
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-cyclopentyl-1-(2-piperidin-1-ylphenyl)ethanamine
CID 129363780
N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine
CID 10493884
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine
CID 117291108
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 78935482
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985

Frequently Asked Questions

What is the IUPAC name of N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine?
The IUPAC name of N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine (CID 10504604) is N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine?
The canonical SMILES for N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine is C(=N/C(CC1CCCCCC1)c1ccccc1N1CCCCC1)\c1ccccc1N1CCCCC1.
What is the InChIKey of N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine?
The InChIKey is KOMGIRVBPDHABL-MHTZHOPKSA-N. The full InChI is InChI=1S/C32H45N3/c1-2-6-16-27(15-5-1)25-30(29-18-8-10-20-32(29)35-23-13-4-14-24-35)33-26-28-17-7-9-19-31(28)34-21-11-3-12-22-34/h7-10,17-20,26-27,30H,1-6,11-16,21-25H2/b33-26+.
What are the key properties of N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine?
N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine has a molecular weight of 471.73 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine is sourced from PubChem (CID 10504604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).