1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine

C19H30N2O — CID 142661887

IUPAC1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
SMILESCC(C)N1CCC(Oc2ccccc2CN2CCCC2)CC1
InChIInChI=1S/C19H30N2O/c1-16(2)21-13-9-18(10-14-21)22-19-8-4-3-7-17(19)15-20-11-5-6-12-20/h3-4,7-8,16,18H,5-6,9-15H2,1-2H3
InChIKeyGGQJWHFMDBHNPI-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.53
Rot. Bonds5

About 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine

1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine (PubChem CID 142661887) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
PubChem CID142661887
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
SMILESCC(C)N1CCC(Oc2ccccc2CN2CCCC2)CC1
InChIInChI=1S/C19H30N2O/c1-16(2)21-13-9-18(10-14-21)22-19-8-4-3-7-17(19)15-20-11-5-6-12-20/h3-4,7-8,16,18H,5-6,9-15H2,1-2H3
InChIKeyGGQJWHFMDBHNPI-UHFFFAOYSA-N
XLogP3.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Propan-2-yl-4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 9879473

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine?
The IUPAC name of 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine (CID 142661887) is 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine.
What is the SMILES notation for 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine?
The canonical SMILES for 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine is CC(C)N1CCC(Oc2ccccc2CN2CCCC2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine?
The InChIKey is GGQJWHFMDBHNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-16(2)21-13-9-18(10-14-21)22-19-8-4-3-7-17(19)15-20-11-5-6-12-20/h3-4,7-8,16,18H,5-6,9-15H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine?
1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine has a molecular weight of 302.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine is sourced from PubChem (CID 142661887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).