(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol

C17H28N4O — CID 56918577

IUPAC(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)C[C@@H]1CCN(c2nccc(C3CCCC3)n2)C[C@H]1O
InChIInChI=1S/C17H28N4O/c1-20(2)11-14-8-10-21(12-16(14)22)17-18-9-7-15(19-17)13-5-3-4-6-13/h7,9,13-14,16,22H,3-6,8,10-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyJEVYFGDPMVGADW-GOEBONIOSA-N
MW304.44 g/mol
LogP1.88
Rot. Bonds4

About (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol

(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol (PubChem CID 56918577) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol
PubChem CID56918577
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)C[C@@H]1CCN(c2nccc(C3CCCC3)n2)C[C@H]1O
InChIInChI=1S/C17H28N4O/c1-20(2)11-14-8-10-21(12-16(14)22)17-18-9-7-15(19-17)13-5-3-4-6-13/h7,9,13-14,16,22H,3-6,8,10-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyJEVYFGDPMVGADW-GOEBONIOSA-N
XLogP1.88
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol (CID 56918577) is (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol is CN(C)C[C@@H]1CCN(c2nccc(C3CCCC3)n2)C[C@H]1O.
What is the InChIKey of (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol?
The InChIKey is JEVYFGDPMVGADW-GOEBONIOSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20(2)11-14-8-10-21(12-16(14)22)17-18-9-7-15(19-17)13-5-3-4-6-13/h7,9,13-14,16,22H,3-6,8,10-12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol?
(3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol has a molecular weight of 304.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]piperidin-3-ol is sourced from PubChem (CID 56918577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).