1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine

C18H35N3 — CID 167091278

IUPAC1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
SMILESCCN1CCC(CN2CCC(C3CCNCC3)CC2)CC1
InChIInChI=1S/C18H35N3/c1-2-20-11-5-16(6-12-20)15-21-13-7-18(8-14-21)17-3-9-19-10-4-17/h16-19H,2-15H2,1H3
InChIKeyQKCVXBWZPQHVGA-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.43
Rot. Bonds4

About 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine

1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine (PubChem CID 167091278) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
PubChem CID167091278
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
SMILESCCN1CCC(CN2CCC(C3CCNCC3)CC2)CC1
InChIInChI=1S/C18H35N3/c1-2-20-11-5-16(6-12-20)15-21-13-7-18(8-14-21)17-3-9-19-10-4-17/h16-19H,2-15H2,1H3
InChIKeyQKCVXBWZPQHVGA-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine
CID 171641363
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
CID 120849683
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
4-(1-propylpyrrolidin-3-yl)piperidine
CID 117022732
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine (CID 167091278) is 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine is CCN1CCC(CN2CCC(C3CCNCC3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
The InChIKey is QKCVXBWZPQHVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-20-11-5-16(6-12-20)15-21-13-7-18(8-14-21)17-3-9-19-10-4-17/h16-19H,2-15H2,1H3.
What are the key properties of 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine?
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine has a molecular weight of 293.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 167091278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).