2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid

C18H27N3O2 — CID 19068067

IUPAC2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid
SMILESNC(C(=O)O)C1CCC(C2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N3O2/c19-17(18(22)23)15-3-1-13(2-4-15)14-7-11-21(12-8-14)16-5-9-20-10-6-16/h5-6,9-10,13-15,17H,1-4,7-8,11-12,19H2,(H,22,23)
InChIKeyWQRFEWNIEJUEJO-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.52
Rot. Bonds4

About 2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid

2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid (PubChem CID 19068067) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid
PubChem CID19068067
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid
SMILESNC(C(=O)O)C1CCC(C2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N3O2/c19-17(18(22)23)15-3-1-13(2-4-15)14-7-11-21(12-8-14)16-5-9-20-10-6-16/h5-6,9-10,13-15,17H,1-4,7-8,11-12,19H2,(H,22,23)
InChIKeyWQRFEWNIEJUEJO-UHFFFAOYSA-N
XLogP2.52
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid (CID 19068067) is 2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid is NC(C(=O)O)C1CCC(C2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid?
The InChIKey is WQRFEWNIEJUEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c19-17(18(22)23)15-3-1-13(2-4-15)14-7-11-21(12-8-14)16-5-9-20-10-6-16/h5-6,9-10,13-15,17H,1-4,7-8,11-12,19H2,(H,22,23).
What are the key properties of 2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid?
2-amino-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid has a molecular weight of 317.43 g/mol, XLogP of 2.52, 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-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 19068067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).