[1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol

C21H33N3O — CID 70744729

IUPAC[1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(Cc2cnc(C3CCCCC3)nc2)C1
InChIInChI=1S/C21H33N3O/c25-16-21(11-17-7-8-17)9-4-10-24(15-21)14-18-12-22-20(23-13-18)19-5-2-1-3-6-19/h12-13,17,19,25H,1-11,14-16H2
InChIKeyGQIDIMPGPZEUNK-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.90
Rot. Bonds6

About [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol

[1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol (PubChem CID 70744729) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol
PubChem CID70744729
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name[1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(Cc2cnc(C3CCCCC3)nc2)C1
InChIInChI=1S/C21H33N3O/c25-16-21(11-17-7-8-17)9-4-10-24(15-21)14-18-12-22-20(23-13-18)19-5-2-1-3-6-19/h12-13,17,19,25H,1-11,14-16H2
InChIKeyGQIDIMPGPZEUNK-UHFFFAOYSA-N
XLogP3.90
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol (CID 70744729) is [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol is OCC1(CC2CC2)CCCN(Cc2cnc(C3CCCCC3)nc2)C1.
What is the InChIKey of [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol?
The InChIKey is GQIDIMPGPZEUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c25-16-21(11-17-7-8-17)9-4-10-24(15-21)14-18-12-22-20(23-13-18)19-5-2-1-3-6-19/h12-13,17,19,25H,1-11,14-16H2.
What are the key properties of [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol?
[1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol has a molecular weight of 343.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 70744729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).