3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine

C15H30N2O — CID 62480120

IUPAC3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine
SMILESCCCOC1CCCN(CCCC2CCCN2)C1
InChIInChI=1S/C15H30N2O/c1-2-12-18-15-8-5-11-17(13-15)10-4-7-14-6-3-9-16-14/h14-16H,2-13H2,1H3
InChIKeyJVRGWNIOLZVUQN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds7

About 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine

3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine (PubChem CID 62480120) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine.

Molecular Properties

Compound Name3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine
PubChem CID62480120
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine
SMILESCCCOC1CCCN(CCCC2CCCN2)C1
InChIInChI=1S/C15H30N2O/c1-2-12-18-15-8-5-11-17(13-15)10-4-7-14-6-3-9-16-14/h14-16H,2-13H2,1H3
InChIKeyJVRGWNIOLZVUQN-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine
CID 107069107
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
3-methoxy-1-(2-piperidin-2-ylethyl)piperidine
CID 102965751
3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834260
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713
1-[(2-methylpiperidin-4-yl)methyl]-3-propoxypiperidine
CID 106740986
(2S)-2-hexylpyrrolidine
CID 7047826
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62557776
4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane
CID 65281341
1-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62480123
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine?
The IUPAC name of 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine (CID 62480120) is 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine.
What is the SMILES notation for 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine?
The canonical SMILES for 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine is CCCOC1CCCN(CCCC2CCCN2)C1.
What is the InChIKey of 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine?
The InChIKey is JVRGWNIOLZVUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-12-18-15-8-5-11-17(13-15)10-4-7-14-6-3-9-16-14/h14-16H,2-13H2,1H3.
What are the key properties of 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine?
3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine is sourced from PubChem (CID 62480120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).