(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol

C16H30N4O — CID 95721451

IUPAC(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol
SMILESCC(C)Cn1cncc1CN1CCC[C@](O)(CN(C)C)C1
InChIInChI=1S/C16H30N4O/c1-14(2)9-20-13-17-8-15(20)10-19-7-5-6-16(21,12-19)11-18(3)4/h8,13-14,21H,5-7,9-12H2,1-4H3/t16-/m0/s1
InChIKeyXQFGVEHKSRKDIX-INIZCTEOSA-N
MW294.44 g/mol
LogP1.43
Rot. Bonds6

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

(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol (PubChem CID 95721451) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol
PubChem CID95721451
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol
SMILESCC(C)Cn1cncc1CN1CCC[C@](O)(CN(C)C)C1
InChIInChI=1S/C16H30N4O/c1-14(2)9-20-13-17-8-15(20)10-19-7-5-6-16(21,12-19)11-18(3)4/h8,13-14,21H,5-7,9-12H2,1-4H3/t16-/m0/s1
InChIKeyXQFGVEHKSRKDIX-INIZCTEOSA-N
XLogP1.43
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 56916014
1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one
CID 56899265
(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol
CID 95882427
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol
CID 95889308
1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile
CID 135098483
2-[[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 77081860
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 95897724
(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 95871785
1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 126828764
1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 66134971
3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol
CID 103358037
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol (CID 95721451) is (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol is CC(C)Cn1cncc1CN1CCC[C@](O)(CN(C)C)C1.
What is the InChIKey of (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is XQFGVEHKSRKDIX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H30N4O/c1-14(2)9-20-13-17-8-15(20)10-19-7-5-6-16(21,12-19)11-18(3)4/h8,13-14,21H,5-7,9-12H2,1-4H3/t16-/m0/s1.
What are the key properties of (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol?
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 294.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 95721451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).