N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine

C14H19ClN2 — CID 150848803

IUPACN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine
SMILESC=NCC(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H19ClN2/c1-16-11-14(17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8,14H,1-4,9-11H2
InChIKeyKPORZQQQJQSNFQ-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.57
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine

N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine (PubChem CID 150848803) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine
PubChem CID150848803
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine
SMILESC=NCC(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H19ClN2/c1-16-11-14(17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8,14H,1-4,9-11H2
InChIKeyKPORZQQQJQSNFQ-UHFFFAOYSA-N
XLogP3.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
CID 3057474
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111087099
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol
CID 129404174
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
CID 125445207
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135596533
1-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]ethanone
CID 110825336
2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 110826413

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine (CID 150848803) is N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine is C=NCC(c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine?
The InChIKey is KPORZQQQJQSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-16-11-14(17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8,14H,1-4,9-11H2.
What are the key properties of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine?
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine has a molecular weight of 250.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine is sourced from PubChem (CID 150848803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).