1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde

C19H29ClN2O — CID 174389315

IUPAC1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde
SMILESCCN(CCN1CCCCC1C=O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O/c1-3-21(12-13-22-11-5-4-6-19(22)15-23)16(2)14-17-7-9-18(20)10-8-17/h7-10,15-16,19H,3-6,11-14H2,1-2H3
InChIKeyXUGCSBLAFRSNLK-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.65
Rot. Bonds8

About 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde

1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde (PubChem CID 174389315) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde
PubChem CID174389315
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde
SMILESCCN(CCN1CCCCC1C=O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O/c1-3-21(12-13-22-11-5-4-6-19(22)15-23)16(2)14-17-7-9-18(20)10-8-17/h7-10,15-16,19H,3-6,11-14H2,1-2H3
InChIKeyXUGCSBLAFRSNLK-UHFFFAOYSA-N
XLogP3.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]azepane-2-carbaldehyde
CID 174389312
1-[4-[ethyl-[1-[4-(trifluoromethylsulfonyl)phenyl]propan-2-yl]amino]butyl]piperidine-2-carbaldehyde
CID 174378805
1-[4-[1-(3-chloro-4-methylsulfonylphenyl)propan-2-yl-ethylamino]butyl]azepane-2-carbaldehyde
CID 174377610
1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one
CID 69221614
1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
CID 102567892
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
N-[2-(azepan-1-yl)ethyl]-N-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]propan-2-amine
CID 141043385
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63527672
4-[2-(dimethylamino)ethylsulfonyl]-1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]piperazine-2-carbaldehyde
CID 174404521
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
1-(2-pyridin-4-ylethyl)piperidine-2-carbaldehyde
CID 62656422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde (CID 174389315) is 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde is CCN(CCN1CCCCC1C=O)C(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde?
The InChIKey is XUGCSBLAFRSNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-3-21(12-13-22-11-5-4-6-19(22)15-23)16(2)14-17-7-9-18(20)10-8-17/h7-10,15-16,19H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde?
1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde has a molecular weight of 336.91 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 174389315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).