[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone

C14H26N2O2 — CID 112625019

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCC(CO)C2)CCCNC1
InChIInChI=1S/C14H26N2O2/c1-2-5-14(6-3-7-15-11-14)13(18)16-8-4-12(9-16)10-17/h12,15,17H,2-11H2,1H3
InChIKeyQUSIHIJENHUPDA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.00
Rot. Bonds4

About [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone (PubChem CID 112625019) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
PubChem CID112625019
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCC(CO)C2)CCCNC1
InChIInChI=1S/C14H26N2O2/c1-2-5-14(6-3-7-15-11-14)13(18)16-8-4-12(9-16)10-17/h12,15,17H,2-11H2,1H3
InChIKeyQUSIHIJENHUPDA-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 114678344
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(3-propylpiperidin-3-yl)methanone
CID 66369459
(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 103532913
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762
(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130238
[4-(methoxymethyl)piperidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 63979199

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone (CID 112625019) is [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)N2CCC(CO)C2)CCCNC1.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone?
The InChIKey is QUSIHIJENHUPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-5-14(6-3-7-15-11-14)13(18)16-8-4-12(9-16)10-17/h12,15,17H,2-11H2,1H3.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 112625019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).