[(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol

C15H26N4O — CID 164640178

IUPAC[(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol
SMILESCC(C)[C@@]1(CO)CCCN(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C15H26N4O/c1-12(2)15(11-20)7-5-9-19(10-15)13-6-8-16-14(17-13)18(3)4/h6,8,12,20H,5,7,9-11H2,1-4H3/t15-/m0/s1
InChIKeyCBRDVCIAJKXVTF-HNNXBMFYSA-N
MW278.40 g/mol
LogP1.78
Rot. Bonds4

About [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol

[(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol (PubChem CID 164640178) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol
PubChem CID164640178
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol
SMILESCC(C)[C@@]1(CO)CCCN(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C15H26N4O/c1-12(2)15(11-20)7-5-9-19(10-15)13-6-8-16-14(17-13)18(3)4/h6,8,12,20H,5,7,9-11H2,1-4H3/t15-/m0/s1
InChIKeyCBRDVCIAJKXVTF-HNNXBMFYSA-N
XLogP1.78
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
(1-(((2-Amino-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol
CID 385194
[2-(Pyrimidin-2-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 90488145
1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
[3-Propyl-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 70778823
[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
[(3R*,4R*)-1-(2-amino-4-pyrimidinyl)-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72890329
[1-[(2-Propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
CID 73440666
{1-[(Pyrimidin-2-yl)methyl]piperidin-4-yl}methanol
CID 62699790
[1-(2-Amino-4-pyrimidinyl)-3-(3-methyl-2-buten-1-yl)-3-piperidinyl]methanol
CID 72901817
[2-(Pyrimidin-4-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 91910433
[8-(Cyclohexylmethyl)-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910444

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol (CID 164640178) is [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol is CC(C)[C@@]1(CO)CCCN(c2ccnc(N(C)C)n2)C1.
What is the InChIKey of [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol?
The InChIKey is CBRDVCIAJKXVTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)15(11-20)7-5-9-19(10-15)13-6-8-16-14(17-13)18(3)4/h6,8,12,20H,5,7,9-11H2,1-4H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol?
[(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 164640178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).