3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol

C19H29NO — CID 15670123

IUPAC3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESCC1CN(CC2CCCC2)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C19H29NO/c1-15-13-20(14-16-6-3-4-7-16)11-10-19(15,2)17-8-5-9-18(21)12-17/h5,8-9,12,15-16,21H,3-4,6-7,10-11,13-14H2,1-2H3
InChIKeyIVPNUWGSTNFBRD-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.18
Rot. Bonds3

About 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol

3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 15670123) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID15670123
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESCC1CN(CC2CCCC2)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C19H29NO/c1-15-13-20(14-16-6-3-4-7-16)11-10-19(15,2)17-8-5-9-18(21)12-17/h5,8-9,12,15-16,21H,3-4,6-7,10-11,13-14H2,1-2H3
InChIKeyIVPNUWGSTNFBRD-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol (CID 15670123) is 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol is CC1CN(CC2CCCC2)CCC1(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is IVPNUWGSTNFBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-13-20(14-16-6-3-4-7-16)11-10-19(15,2)17-8-5-9-18(21)12-17/h5,8-9,12,15-16,21H,3-4,6-7,10-11,13-14H2,1-2H3.
What are the key properties of 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol?
3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 287.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 15670123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).