4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine

C15H30N2 — CID 113417902

IUPAC4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine
SMILESCCCC1(CN2CCC(CC)C2)CCNCC1
InChIInChI=1S/C15H30N2/c1-3-6-15(7-9-16-10-8-15)13-17-11-5-14(4-2)12-17/h14,16H,3-13H2,1-2H3
InChIKeyYEYMQDPDFFHJGR-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds5

About 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine

4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine (PubChem CID 113417902) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine.

Molecular Properties

Compound Name4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine
PubChem CID113417902
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine
SMILESCCCC1(CN2CCC(CC)C2)CCNCC1
InChIInChI=1S/C15H30N2/c1-3-6-15(7-9-16-10-8-15)13-17-11-5-14(4-2)12-17/h14,16H,3-13H2,1-2H3
InChIKeyYEYMQDPDFFHJGR-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[(4-propylpiperidin-4-yl)methyl]piperidin-4-amine
CID 63129344
4-(methoxymethyl)-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
CID 114042162
3-methoxy-1-[(4-propylpiperidin-4-yl)methyl]piperidine
CID 102963889
2-[(3-ethylpyrrolidin-1-yl)methyl]-2-propylpyrrolidine
CID 106976523
2-methyl-4-[(4-propylpiperidin-4-yl)methyl]morpholine
CID 63129544
1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine
CID 114547090
(2R,6S)-2,6-dimethyl-4-[(4-propylpiperidin-4-yl)methyl]morpholine
CID 104959142
3-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122767
1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174275638
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane
CID 63129768
1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine
CID 63129487

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine?
The IUPAC name of 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine (CID 113417902) is 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine.
What is the SMILES notation for 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine?
The canonical SMILES for 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine is CCCC1(CN2CCC(CC)C2)CCNCC1.
What is the InChIKey of 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine?
The InChIKey is YEYMQDPDFFHJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-6-15(7-9-16-10-8-15)13-17-11-5-14(4-2)12-17/h14,16H,3-13H2,1-2H3.
What are the key properties of 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine?
4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine is sourced from PubChem (CID 113417902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).