(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol

C16H26N2O3 — CID 171189343

IUPAC(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1cc(C)cc(OC)c1[C@@H](CCO)N1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-12-10-14(20-2)16(15(11-12)21-3)13(4-9-19)18-7-5-17-6-8-18/h10-11,13,17,19H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyIAXVHFKEYPDCBX-CYBMUJFWSA-N
MW294.39 g/mol
LogP1.34
Rot. Bonds6

About (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol

(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 171189343) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID171189343
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1cc(C)cc(OC)c1[C@@H](CCO)N1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-12-10-14(20-2)16(15(11-12)21-3)13(4-9-19)18-7-5-17-6-8-18/h10-11,13,17,19H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyIAXVHFKEYPDCBX-CYBMUJFWSA-N
XLogP1.34
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171189535
(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189484
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
CID 171296585
1-[(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171283971
(3R)-3-piperazin-1-yl-3-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 171189008
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
CID 171183397
3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310995
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555
3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309229
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189768
(3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95486981
3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171291518

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol (CID 171189343) is (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol is COc1cc(C)cc(OC)c1[C@@H](CCO)N1CCNCC1.
What is the InChIKey of (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is IAXVHFKEYPDCBX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12-10-14(20-2)16(15(11-12)21-3)13(4-9-19)18-7-5-17-6-8-18/h10-11,13,17,19H,4-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 171189343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).