2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine

C15H24N2O — CID 97162617

IUPAC2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine
SMILESC[C@H](OCCCC1CCNCC1)c1ccccn1
InChIInChI=1S/C15H24N2O/c1-13(15-6-2-3-9-17-15)18-12-4-5-14-7-10-16-11-8-14/h2-3,6,9,13-14,16H,4-5,7-8,10-12H2,1H3/t13-/m0/s1
InChIKeyKRKFAQMASMJQQN-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.94
Rot. Bonds6

About 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine

2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine (PubChem CID 97162617) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine.

Molecular Properties

Compound Name2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine
PubChem CID97162617
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine
SMILESC[C@H](OCCCC1CCNCC1)c1ccccn1
InChIInChI=1S/C15H24N2O/c1-13(15-6-2-3-9-17-15)18-12-4-5-14-7-10-16-11-8-14/h2-3,6,9,13-14,16H,4-5,7-8,10-12H2,1H3/t13-/m0/s1
InChIKeyKRKFAQMASMJQQN-ZDUSSCGKSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-piperidin-4-ylpropoxy)ethyl]pyrazine
CID 71638076
tert-butyl 4-[3-[(1R)-1-pyridin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176060
2-(1-piperidin-4-yloxyethyl)pyridine
CID 71637942
2-[1-(cyclopropylmethoxy)ethyl]pyridine
CID 21278985
2-[(1R)-1-[[(2S)-pyrrolidin-2-yl]methoxy]ethyl]pyridine
CID 97162432
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 86329926
4-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine
CID 71638034
1-(2-cyclobutylethoxy)-1-pyridin-2-ylpropan-2-amine
CID 106200221
tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633708

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine?
The IUPAC name of 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine (CID 97162617) is 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine.
What is the SMILES notation for 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine?
The canonical SMILES for 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine is C[C@H](OCCCC1CCNCC1)c1ccccn1.
What is the InChIKey of 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine?
The InChIKey is KRKFAQMASMJQQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(15-6-2-3-9-17-15)18-12-4-5-14-7-10-16-11-8-14/h2-3,6,9,13-14,16H,4-5,7-8,10-12H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine?
2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine has a molecular weight of 248.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-piperidin-4-ylpropoxy)ethyl]pyridine is sourced from PubChem (CID 97162617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).