6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C15H29N3 — CID 171564760

IUPAC6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCCN1CCN(CC2C3CN(C(C)C)CC23)CC1
InChIInChI=1S/C15H29N3/c1-4-16-5-7-17(8-6-16)9-13-14-10-18(12(2)3)11-15(13)14/h12-15H,4-11H2,1-3H3
InChIKeyNNYAIDVQCVYNTA-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.21
Rot. Bonds4

About 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 171564760) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID171564760
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCCN1CCN(CC2C3CN(C(C)C)CC23)CC1
InChIInChI=1S/C15H29N3/c1-4-16-5-7-17(8-6-16)9-13-14-10-18(12(2)3)11-15(13)14/h12-15H,4-11H2,1-3H3
InChIKeyNNYAIDVQCVYNTA-UHFFFAOYSA-N
XLogP1.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100
1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine
CID 177246140
2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 58914458
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736
(1S,5R)-6-[[3-ethyl-4-(3-methylbut-3-enyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 166981409
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine
CID 121477903
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
1,4-diethylpiperazine;sulfane
CID 177062456
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
1-ethyl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 28716489

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 171564760) is 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is CCN1CCN(CC2C3CN(C(C)C)CC23)CC1.
What is the InChIKey of 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is NNYAIDVQCVYNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-16-5-7-17(8-6-16)9-13-14-10-18(12(2)3)11-15(13)14/h12-15H,4-11H2,1-3H3.
What are the key properties of 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 251.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 171564760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).