(1-propan-2-ylpiperidin-4-yl)carbamic acid

C9H18N2O2 — CID 22394320

IUPAC(1-propan-2-ylpiperidin-4-yl)carbamic acid
SMILESCC(C)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-7(2)11-5-3-8(4-6-11)10-9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyWGTSIPPZBCZNRU-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.13
Rot. Bonds2

About (1-propan-2-ylpiperidin-4-yl)carbamic acid

(1-propan-2-ylpiperidin-4-yl)carbamic acid (PubChem CID 22394320) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-propan-2-ylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(1-propan-2-ylpiperidin-4-yl)carbamic acid
PubChem CID22394320
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(1-propan-2-ylpiperidin-4-yl)carbamic acid
SMILESCC(C)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-7(2)11-5-3-8(4-6-11)10-9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyWGTSIPPZBCZNRU-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpiperidin-4-yl)carbamic acid?
The IUPAC name of (1-propan-2-ylpiperidin-4-yl)carbamic acid (CID 22394320) is (1-propan-2-ylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (1-propan-2-ylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (1-propan-2-ylpiperidin-4-yl)carbamic acid is CC(C)N1CCC(NC(=O)O)CC1.
What is the InChIKey of (1-propan-2-ylpiperidin-4-yl)carbamic acid?
The InChIKey is WGTSIPPZBCZNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)11-5-3-8(4-6-11)10-9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of (1-propan-2-ylpiperidin-4-yl)carbamic acid?
(1-propan-2-ylpiperidin-4-yl)carbamic acid has a molecular weight of 186.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 22394320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).