[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol

C17H35NO2 — CID 155531919

IUPAC[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol
SMILESCCCCCCCCCCCCO[C@@H]1CN[C@@H](CO)C1
InChIInChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-20-17-13-16(15-19)18-14-17/h16-19H,2-15H2,1H3/t16-,17+/m1/s1
InChIKeyCWALPWATEWFJFN-SJORKVTESA-N
MW285.47 g/mol
LogP3.65
Rot. Bonds13

About [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol

[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol (PubChem CID 155531919) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol
PubChem CID155531919
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol
SMILESCCCCCCCCCCCCO[C@@H]1CN[C@@H](CO)C1
InChIInChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-20-17-13-16(15-19)18-14-17/h16-19H,2-15H2,1H3/t16-,17+/m1/s1
InChIKeyCWALPWATEWFJFN-SJORKVTESA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol;hydrochloride
CID 155531918
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
4-butoxy-2-propylpyrrolidine
CID 102568603
(2R,4S)-4-butoxy-2-butylpyrrolidine
CID 99994485
[(2S,4R)-4-[(4-decylphenyl)methoxy]pyrrolidin-2-yl]methanol
CID 155558450
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
(2S,4R)-2-ethyl-4-propoxypyrrolidine
CID 99994381
(2R,4R)-4-butoxypyrrolidine-2-carboxylic acid
CID 126667812
(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
(2S,4S)-4-butoxy-2-propan-2-ylpyrrolidine
CID 99994491
4-pentoxypiperidine
CID 43167830
heptoxycyclopropane
CID 54099544

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol (CID 155531919) is [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol is CCCCCCCCCCCCO[C@@H]1CN[C@@H](CO)C1.
What is the InChIKey of [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol?
The InChIKey is CWALPWATEWFJFN-SJORKVTESA-N. The full InChI is InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-20-17-13-16(15-19)18-14-17/h16-19H,2-15H2,1H3/t16-,17+/m1/s1.
What are the key properties of [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol?
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol has a molecular weight of 285.47 g/mol, XLogP of 3.65, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 155531919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).