[(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol

C16H28N4O — CID 97112028

IUPAC[(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol
SMILESCC(C)c1ccnc(NCCCN2CCC[C@H](CO)C2)n1
InChIInChI=1S/C16H28N4O/c1-13(2)15-6-8-18-16(19-15)17-7-4-10-20-9-3-5-14(11-20)12-21/h6,8,13-14,21H,3-5,7,9-12H2,1-2H3,(H,17,18,19)/t14-/m0/s1
InChIKeyHXBKKAXYUDZFGK-AWEZNQCLSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds7

About [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol

[(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol (PubChem CID 97112028) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol
PubChem CID97112028
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol
SMILESCC(C)c1ccnc(NCCCN2CCC[C@H](CO)C2)n1
InChIInChI=1S/C16H28N4O/c1-13(2)15-6-8-18-16(19-15)17-7-4-10-20-9-3-5-14(11-20)12-21/h6,8,13-14,21H,3-5,7,9-12H2,1-2H3,(H,17,18,19)/t14-/m0/s1
InChIKeyHXBKKAXYUDZFGK-AWEZNQCLSA-N
XLogP2.11
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyl-N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}pyrimidin-2-amine
CID 56861947
1-{3-[(4-Cyclopentylpyrimidin-2-YL)amino]propyl}piperidin-4-OL
CID 56863924
(1-{[(6-Isopropylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72839408
2-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol
CID 110090207
Piperidin-4-yl-aminopyrimidine
CID 61728035
2-(Piperazin-1-yl)-4-(propan-2-yl)pyrimidine
CID 58990463
(1-{[(4-Cyclopentylpyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 56861289
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
{3-Ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperidin-3-YL}methanol
CID 56871761
2-[4-(4-Ethyl-5-methyl-2-pyrimidinyl)-1-methyl-2-piperazinyl]ethanol
CID 70755675
2-[4-(4-Isopropylpyrimidin-2-yl)morpholin-2-yl]ethanamine
CID 72839855
{(3R*,4R*)-1-(4-cyclopentyl-2-pyrimidinyl)-4-[(dimethylamino)methyl]-3-pyrrolidinyl}methanol
CID 72859453

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol (CID 97112028) is [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol is CC(C)c1ccnc(NCCCN2CCC[C@H](CO)C2)n1.
What is the InChIKey of [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol?
The InChIKey is HXBKKAXYUDZFGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)15-6-8-18-16(19-15)17-7-4-10-20-9-3-5-14(11-20)12-21/h6,8,13-14,21H,3-5,7,9-12H2,1-2H3,(H,17,18,19)/t14-/m0/s1.
What are the key properties of [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol?
[(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol has a molecular weight of 292.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 97112028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).