(2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate

C18H27N3O2 — CID 91604523

IUPAC(2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate
SMILESNC(=O)OC1CCN(C2CCNCC2)C(Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c19-18(22)23-17-8-11-21(15-6-9-20-10-7-15)16(13-17)12-14-4-2-1-3-5-14/h1-5,15-17,20H,6-13H2,(H2,19,22)
InChIKeyTXTZNMWKEKMYFD-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.91
Rot. Bonds4

About (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate

(2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate (PubChem CID 91604523) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate.

Molecular Properties

Compound Name(2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate
PubChem CID91604523
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate
SMILESNC(=O)OC1CCN(C2CCNCC2)C(Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c19-18(22)23-17-8-11-21(15-6-9-20-10-7-15)16(13-17)12-14-4-2-1-3-5-14/h1-5,15-17,20H,6-13H2,(H2,19,22)
InChIKeyTXTZNMWKEKMYFD-UHFFFAOYSA-N
XLogP1.91
TPSA67.59 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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate?
The IUPAC name of (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate (CID 91604523) is (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate.
What is the SMILES notation for (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate?
The canonical SMILES for (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate is NC(=O)OC1CCN(C2CCNCC2)C(Cc2ccccc2)C1.
What is the InChIKey of (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate?
The InChIKey is TXTZNMWKEKMYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c19-18(22)23-17-8-11-21(15-6-9-20-10-7-15)16(13-17)12-14-4-2-1-3-5-14/h1-5,15-17,20H,6-13H2,(H2,19,22).
What are the key properties of (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate?
(2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate has a molecular weight of 317.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate is sourced from PubChem (CID 91604523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).