(3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

C14H28N2O — CID 87053295

IUPAC(3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCCCCN1CC[C@@](C)(O)[C@H](N2CCCC2)C1
InChIInChI=1S/C14H28N2O/c1-3-4-8-15-11-7-14(2,17)13(12-15)16-9-5-6-10-16/h13,17H,3-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyVSQWKGLFIGLMHD-ZIAGYGMSSA-N
MW240.39 g/mol
LogP1.71
Rot. Bonds4

About (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

(3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 87053295) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID87053295
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCCCCN1CC[C@@](C)(O)[C@H](N2CCCC2)C1
InChIInChI=1S/C14H28N2O/c1-3-4-8-15-11-7-14(2,17)13(12-15)16-9-5-6-10-16/h13,17H,3-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyVSQWKGLFIGLMHD-ZIAGYGMSSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 87053309
1-[(5-bromofuran-2-yl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 156602377
2-(1-butyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025523
4-[(4-hydroxy-4-methyl-3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzonitrile
CID 156601738
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
2-octyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115421
4,4-difluoro-1-octylpiperidin-3-ol
CID 138581107
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
3,5,5-trimethyl-1-octylazepane
CID 20533819
2-octyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 115565138
4,4-dimethyl-1-pentylazepane
CID 18723213
1-hexyl-4,4-dimethylpiperidine
CID 18722930

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (CID 87053295) is (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is CCCCN1CC[C@@](C)(O)[C@H](N2CCCC2)C1.
What is the InChIKey of (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is VSQWKGLFIGLMHD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-4-8-15-11-7-14(2,17)13(12-15)16-9-5-6-10-16/h13,17H,3-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
(3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 240.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-butyl-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 87053295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).