2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde

C13H18ClN3O — CID 87187153

IUPAC2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde
SMILESNC(C=O)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-3-1-2-4-12(11)16-10-5-7-17(8-6-10)13(15)9-18/h1-4,9-10,13,16H,5-8,15H2
InChIKeyHAIFRKBWRYIBNQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.70
Rot. Bonds4

About 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde

2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde (PubChem CID 87187153) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde
PubChem CID87187153
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde
SMILESNC(C=O)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-3-1-2-4-12(11)16-10-5-7-17(8-6-10)13(15)9-18/h1-4,9-10,13,16H,5-8,15H2
InChIKeyHAIFRKBWRYIBNQ-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,5-diamino-2,4-bis[4-(2-chloroanilino)piperidin-1-yl]pentan-3-one
CID 174643896
N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine
CID 3576043
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
N-(2-chlorophenyl)-1,1-dioxothian-4-amine
CID 43511535
2-amino-2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]acetaldehyde
CID 87187264
N-(2-chlorophenyl)-1-pent-1-ynylpiperidin-4-amine
CID 70079264
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
CID 139003976
1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine
CID 3902655
tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate
CID 66591390
N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820286

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde?
The IUPAC name of 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde (CID 87187153) is 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde is NC(C=O)N1CCC(Nc2ccccc2Cl)CC1.
What is the InChIKey of 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde?
The InChIKey is HAIFRKBWRYIBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-3-1-2-4-12(11)16-10-5-7-17(8-6-10)13(15)9-18/h1-4,9-10,13,16H,5-8,15H2.
What are the key properties of 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde?
2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde has a molecular weight of 267.76 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2-chloroanilino)piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 87187153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).