1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid

C17H26N2O2 — CID 61024423

IUPAC1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
SMILESCCC(C)NC1(C(=O)O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-14(2)18-17(16(20)21)9-11-19(12-10-17)13-15-7-5-4-6-8-15/h4-8,14,18H,3,9-13H2,1-2H3,(H,20,21)
InChIKeyKDYWTTWEXRZHIT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds6

About 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid

1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid (PubChem CID 61024423) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
PubChem CID61024423
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
SMILESCCC(C)NC1(C(=O)O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-14(2)18-17(16(20)21)9-11-19(12-10-17)13-15-7-5-4-6-8-15/h4-8,14,18H,3,9-13H2,1-2H3,(H,20,21)
InChIKeyKDYWTTWEXRZHIT-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
CID 60995368
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
CID 71758384
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid (CID 61024423) is 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid is CCC(C)NC1(C(=O)O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid?
The InChIKey is KDYWTTWEXRZHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14(2)18-17(16(20)21)9-11-19(12-10-17)13-15-7-5-4-6-8-15/h4-8,14,18H,3,9-13H2,1-2H3,(H,20,21).
What are the key properties of 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid?
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 61024423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).