methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate

C11H21NO4 — CID 129492978

IUPACmethyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate
SMILESCOCCCN1CC[C@H](O)[C@H](C(=O)OC)C1
InChIInChI=1S/C11H21NO4/c1-15-7-3-5-12-6-4-10(13)9(8-12)11(14)16-2/h9-10,13H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyCGEVFJYLHUSOGF-ZJUUUORDSA-N
MW231.29 g/mol
LogP-0.12
Rot. Bonds5

About methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate

methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate (PubChem CID 129492978) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate
PubChem CID129492978
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate
SMILESCOCCCN1CC[C@H](O)[C@H](C(=O)OC)C1
InChIInChI=1S/C11H21NO4/c1-15-7-3-5-12-6-4-10(13)9(8-12)11(14)16-2/h9-10,13H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyCGEVFJYLHUSOGF-ZJUUUORDSA-N
XLogP-0.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (3R,4R)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate
CID 129492975
methyl 1-butyl-4-hydroxypiperidine-3-carboxylate
CID 121199616
methyl (3R,4S)-4-hydroxy-1-(3-methylbutyl)piperidine-3-carboxylate
CID 129493249
methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate
CID 129493931
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol
CID 70949431
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
1-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422
(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate (CID 129492978) is methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate is COCCCN1CC[C@H](O)[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate?
The InChIKey is CGEVFJYLHUSOGF-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NO4/c1-15-7-3-5-12-6-4-10(13)9(8-12)11(14)16-2/h9-10,13H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate?
methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate has a molecular weight of 231.29 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate is sourced from PubChem (CID 129492978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).