1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid

C18H26N2O2 — CID 122556302

IUPAC1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCN(CCc3ccccc3)CC2)CCC1
InChIInChI=1S/C18H26N2O2/c21-17(22)18(10-4-11-18)19-16-8-13-20(14-9-16)12-7-15-5-2-1-3-6-15/h1-3,5-6,16,19H,4,7-14H2,(H,21,22)
InChIKeyKPJZROCCFKZCKY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.29
Rot. Bonds6

About 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid

1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid (PubChem CID 122556302) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid
PubChem CID122556302
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCN(CCc3ccccc3)CC2)CCC1
InChIInChI=1S/C18H26N2O2/c21-17(22)18(10-4-11-18)19-16-8-13-20(14-9-16)12-7-15-5-2-1-3-6-15/h1-3,5-6,16,19H,4,7-14H2,(H,21,22)
InChIKeyKPJZROCCFKZCKY-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

4-(cyclopropylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 60792929
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
but-2-enedioic acid;1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 70414111

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid (CID 122556302) is 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid is O=C(O)C1(NC2CCN(CCc3ccccc3)CC2)CCC1.
What is the InChIKey of 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is KPJZROCCFKZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(22)18(10-4-11-18)19-16-8-13-20(14-9-16)12-7-15-5-2-1-3-6-15/h1-3,5-6,16,19H,4,7-14H2,(H,21,22).
What are the key properties of 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid?
1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 302.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 122556302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).