[4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol

C13H25NO — CID 58547558

IUPAC[4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol
SMILESCC(C)N1CCC(CO)(CC2CC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)14-7-5-13(10-15,6-8-14)9-12-3-4-12/h11-12,15H,3-10H2,1-2H3
InChIKeyCBVTZVIJZBFVIJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds4

About [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol

[4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol (PubChem CID 58547558) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol
PubChem CID58547558
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol
SMILESCC(C)N1CCC(CO)(CC2CC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)14-7-5-13(10-15,6-8-14)9-12-3-4-12/h11-12,15H,3-10H2,1-2H3
InChIKeyCBVTZVIJZBFVIJ-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol?
The IUPAC name of [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol (CID 58547558) is [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol is CC(C)N1CCC(CO)(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol?
The InChIKey is CBVTZVIJZBFVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)14-7-5-13(10-15,6-8-14)9-12-3-4-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol?
[4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol is sourced from PubChem (CID 58547558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).