3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol

C18H29NO — CID 10423544

IUPAC3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
SMILESCCCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1
InChIInChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1
InChIKeyKIGPUNOQAQQLGN-MAUKXSAKSA-N
MW275.44 g/mol
LogP4.18
Rot. Bonds5

About 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol

3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol (PubChem CID 10423544) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
PubChem CID10423544
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
SMILESCCCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1
InChIInChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1
InChIKeyKIGPUNOQAQQLGN-MAUKXSAKSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R,4S)-1-heptyl-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637251
3-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]phenol
CID 18637244
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride
CID 19933912
4-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-one
CID 58583518
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
CID 141106178
3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]-N-methylaniline
CID 21356011
3-[(3R,4S)-3,4-dimethyl-1-[3-(2-methylpropylamino)propyl]piperidin-4-yl]phenol
CID 18648607
3-[3,4-dimethyl-1-[3-(2-methylpropylamino)propyl]piperidin-4-yl]phenol
CID 19735901
1-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-1-one
CID 54301963
3-[(3R,4R)-1-[3-(3-chlorophenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 10338422
3-[(3R,4S)-1-[(3R)-3-hydroxy-4-methylpentyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 18637263

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol (CID 10423544) is 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol is CCCCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1.
What is the InChIKey of 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol?
The InChIKey is KIGPUNOQAQQLGN-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol?
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol is sourced from PubChem (CID 10423544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).