(2S)-2-(3-methoxypropyl)piperidine

C9H19NO — CID 40729361

IUPAC(2S)-2-(3-methoxypropyl)piperidine
SMILESCOCCC[C@@H]1CCCCN1
InChIInChI=1S/C9H19NO/c1-11-8-4-6-9-5-2-3-7-10-9/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyYECWYDXDKXESES-VIFPVBQESA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds4

About (2S)-2-(3-methoxypropyl)piperidine

(2S)-2-(3-methoxypropyl)piperidine (PubChem CID 40729361) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S)-2-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(3-methoxypropyl)piperidine
PubChem CID40729361
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S)-2-(3-methoxypropyl)piperidine
SMILESCOCCC[C@@H]1CCCCN1
InChIInChI=1S/C9H19NO/c1-11-8-4-6-9-5-2-3-7-10-9/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyYECWYDXDKXESES-VIFPVBQESA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
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

N-(2-methoxyethyl)-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 62212504
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816
2-(4-methoxybutoxymethyl)pyrrolidine
CID 104648269
2-(4-methoxy-4-methylpentyl)piperidine
CID 121009823
2-tetradecylpiperidine
CID 151771246
(2R)-2-(3-propan-2-yloxypropyl)pyrrolidine
CID 134397939
2-heptadecylazepane
CID 4009189
N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631
4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine
CID 116500370
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxypropyl)piperidine?
The IUPAC name of (2S)-2-(3-methoxypropyl)piperidine (CID 40729361) is (2S)-2-(3-methoxypropyl)piperidine.
What is the SMILES notation for (2S)-2-(3-methoxypropyl)piperidine?
The canonical SMILES for (2S)-2-(3-methoxypropyl)piperidine is COCCC[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(3-methoxypropyl)piperidine?
The InChIKey is YECWYDXDKXESES-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO/c1-11-8-4-6-9-5-2-3-7-10-9/h9-10H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(3-methoxypropyl)piperidine?
(2S)-2-(3-methoxypropyl)piperidine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxypropyl)piperidine is sourced from PubChem (CID 40729361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).