1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine

C15H28N2O — CID 56824355

IUPAC1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
SMILESC1CCN(CC2CCCN2CC2CCCO2)CC1
InChIInChI=1S/C15H28N2O/c1-2-8-16(9-3-1)12-14-6-4-10-17(14)13-15-7-5-11-18-15/h14-15H,1-13H2
InChIKeyBWSKTNIKPOBXST-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.12
Rot. Bonds4

About 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine

1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine (PubChem CID 56824355) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
PubChem CID56824355
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
SMILESC1CCN(CC2CCCN2CC2CCCO2)CC1
InChIInChI=1S/C15H28N2O/c1-2-8-16(9-3-1)12-14-6-4-10-17(14)13-15-7-5-11-18-15/h14-15H,1-13H2
InChIKeyBWSKTNIKPOBXST-UHFFFAOYSA-N
XLogP2.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
CID 43591930
2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388857
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79545987
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate
CID 96519465
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858466
[1-(oxolan-2-ylmethyl)piperazin-2-yl]methanol
CID 82241239
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine?
The IUPAC name of 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine (CID 56824355) is 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine is C1CCN(CC2CCCN2CC2CCCO2)CC1.
What is the InChIKey of 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine?
The InChIKey is BWSKTNIKPOBXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-8-16(9-3-1)12-14-6-4-10-17(14)13-15-7-5-11-18-15/h14-15H,1-13H2.
What are the key properties of 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine?
1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine has a molecular weight of 252.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine is sourced from PubChem (CID 56824355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).