[(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol

C16H26N4O — CID 97142428

IUPAC[(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol
SMILESCN(C)c1nccnc1N1CCC[C@@](CO)(CC2CC2)C1
InChIInChI=1S/C16H26N4O/c1-19(2)14-15(18-8-7-17-14)20-9-3-6-16(11-20,12-21)10-13-4-5-13/h7-8,13,21H,3-6,9-12H2,1-2H3/t16-/m1/s1
InChIKeyPXTQEICXUBUMJT-MRXNPFEDSA-N
MW290.41 g/mol
LogP1.92
Rot. Bonds5

About [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol

[(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol (PubChem CID 97142428) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol
PubChem CID97142428
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol
SMILESCN(C)c1nccnc1N1CCC[C@@](CO)(CC2CC2)C1
InChIInChI=1S/C16H26N4O/c1-19(2)14-15(18-8-7-17-14)20-9-3-6-16(11-20,12-21)10-13-4-5-13/h7-8,13,21H,3-6,9-12H2,1-2H3/t16-/m1/s1
InChIKeyPXTQEICXUBUMJT-MRXNPFEDSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol (CID 97142428) is [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol is CN(C)c1nccnc1N1CCC[C@@](CO)(CC2CC2)C1.
What is the InChIKey of [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol?
The InChIKey is PXTQEICXUBUMJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(2)14-15(18-8-7-17-14)20-9-3-6-16(11-20,12-21)10-13-4-5-13/h7-8,13,21H,3-6,9-12H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol?
[(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(cyclopropylmethyl)-1-[3-(dimethylamino)pyrazin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 97142428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).