4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine

C19H30N2O2 — CID 123180187

IUPAC4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine
SMILESCC1CCCN1CCCOc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-16-4-2-13-21(16)14-3-15-22-17-5-7-18(8-6-17)23-19-9-11-20-12-10-19/h5-8,16,19-20H,2-4,9-15H2,1H3
InChIKeyKAGNSPPVHSNARO-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.07
Rot. Bonds7

About 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine

4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine (PubChem CID 123180187) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine.

Molecular Properties

Compound Name4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine
PubChem CID123180187
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine
SMILESCC1CCCN1CCCOc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-16-4-2-13-21(16)14-3-15-22-17-5-7-18(8-6-17)23-19-9-11-20-12-10-19/h5-8,16,19-20H,2-4,9-15H2,1H3
InChIKeyKAGNSPPVHSNARO-UHFFFAOYSA-N
XLogP3.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
ethyl 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenoxy]piperidine-1-carboxylate
CID 86298856
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
1-(1-methylcyclopropyl)-2-[4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenoxy]piperidin-1-yl]ethanone
CID 135221170
(1-methylcyclopropyl)-[4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenoxy]piperidin-1-yl]methanone
CID 86298855
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
4-(4-propoxyphenoxy)azepane
CID 63904480
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-3a,4,5,7,8,8a-hexahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]-pyridin-4-ylmethanone;2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-4,5,6,7,8,8a-hexahydro-3aH-[1,3]thiazolo[4,5-d]azepine
CID 160971421

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine?
The IUPAC name of 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine (CID 123180187) is 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine.
What is the SMILES notation for 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine?
The canonical SMILES for 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine is CC1CCCN1CCCOc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine?
The InChIKey is KAGNSPPVHSNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-4-2-13-21(16)14-3-15-22-17-5-7-18(8-6-17)23-19-9-11-20-12-10-19/h5-8,16,19-20H,2-4,9-15H2,1H3.
What are the key properties of 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine?
4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine has a molecular weight of 318.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine is sourced from PubChem (CID 123180187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).