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

C15H24N2O — CID 146177045

IUPACamino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol
SMILESCC(C)N1CCC(c2ccc(C(N)O)cc2)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)17-9-7-13(8-10-17)12-3-5-14(6-4-12)15(16)18/h3-6,11,13,15,18H,7-10,16H2,1-2H3
InChIKeyAWXFNGMFWLCIMX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.22
Rot. Bonds3

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

amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol (PubChem CID 146177045) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Nameamino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol
PubChem CID146177045
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Nameamino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol
SMILESCC(C)N1CCC(c2ccc(C(N)O)cc2)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)17-9-7-13(8-10-17)12-3-5-14(6-4-12)15(16)18/h3-6,11,13,15,18H,7-10,16H2,1-2H3
InChIKeyAWXFNGMFWLCIMX-UHFFFAOYSA-N
XLogP2.22
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol?
The IUPAC name of amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol (CID 146177045) is amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol.
What is the SMILES notation for amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol?
The canonical SMILES for amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol is CC(C)N1CCC(c2ccc(C(N)O)cc2)CC1.
What is the InChIKey of amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol?
The InChIKey is AWXFNGMFWLCIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17-9-7-13(8-10-17)12-3-5-14(6-4-12)15(16)18/h3-6,11,13,15,18H,7-10,16H2,1-2H3.
What are the key properties of amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol?
amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol is sourced from PubChem (CID 146177045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).