[1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol

C15H24N2O — CID 15342414

IUPAC[1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol
SMILESCNCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-16-9-12-17-10-7-14(8-11-17)15(18)13-5-3-2-4-6-13/h2-6,14-16,18H,7-12H2,1H3
InChIKeyBXWSSULMOYUWLL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.65
Rot. Bonds5

About [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol

[1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol (PubChem CID 15342414) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol
PubChem CID15342414
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol
SMILESCNCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-16-9-12-17-10-7-14(8-11-17)15(18)13-5-3-2-4-6-13/h2-6,14-16,18H,7-12H2,1H3
InChIKeyBXWSSULMOYUWLL-UHFFFAOYSA-N
XLogP1.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol (CID 15342414) is [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol is CNCCN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is BXWSSULMOYUWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-14(8-11-17)15(18)13-5-3-2-4-6-13/h2-6,14-16,18H,7-12H2,1H3.
What are the key properties of [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol?
[1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 248.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methylamino)ethyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 15342414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).