ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine

C18H39N3 — CID 155702616

IUPACethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
SMILESCC.CC(C)N1CCC(CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C16H33N3.C2H6/c1-15(2)19-9-6-16(7-10-19)5-4-8-18-13-11-17(3)12-14-18;1-2/h15-16H,4-14H2,1-3H3;1-2H3
InChIKeyUBNNNKCVGQLGAZ-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.16
Rot. Bonds5

About ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine

ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine (PubChem CID 155702616) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
PubChem CID155702616
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Nameethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
SMILESCC.CC(C)N1CCC(CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C16H33N3.C2H6/c1-15(2)19-9-6-16(7-10-19)5-4-8-18-13-11-17(3)12-14-18;1-2/h15-16H,4-14H2,1-3H3;1-2H3
InChIKeyUBNNNKCVGQLGAZ-UHFFFAOYSA-N
XLogP3.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
4-octyl-1-propan-2-ylpiperidine
CID 167231286
1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine
CID 170569555
[methyl-[3-(1-propan-2-ylpiperidin-4-yl)propyl]amino]methanethiol
CID 170057835
1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885442
1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 166118536

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine?
The IUPAC name of ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine (CID 155702616) is ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine.
What is the SMILES notation for ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine?
The canonical SMILES for ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine is CC.CC(C)N1CCC(CCCN2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine?
The InChIKey is UBNNNKCVGQLGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3.C2H6/c1-15(2)19-9-6-16(7-10-19)5-4-8-18-13-11-17(3)12-14-18;1-2/h15-16H,4-14H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine?
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine has a molecular weight of 297.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine is sourced from PubChem (CID 155702616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).