1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid

C12H24N2O2 — CID 43754005

IUPAC1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
SMILESCCCNC1(C(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-7-13-12(11(15)16)5-8-14(9-6-12)10(2)3/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeySMERDACLGJLGMT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds5

About 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid

1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid (PubChem CID 43754005) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
PubChem CID43754005
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
SMILESCCCNC1(C(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-7-13-12(11(15)16)5-8-14(9-6-12)10(2)3/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeySMERDACLGJLGMT-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
CID 54892985
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
CID 63702401
4-(benzylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65075754
1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid
CID 62976763
ethane;4-methyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 170571754
methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 66191601
4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid
CID 60994611
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211
1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
CID 81167550
3-(propylamino)thiane-3-carboxylic acid
CID 62872702
3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79645417

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid (CID 43754005) is 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid is CCCNC1(C(=O)O)CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid?
The InChIKey is SMERDACLGJLGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-7-13-12(11(15)16)5-8-14(9-6-12)10(2)3/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid?
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 43754005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).