1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine

C19H37N3 — CID 142067869

IUPAC1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine
SMILESC/C=C(/C)CC(CC)CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C19H37N3/c1-5-17(3)15-18(6-2)16-21-9-7-19(8-10-21)22-13-11-20(4)12-14-22/h5,18-19H,6-16H2,1-4H3/b17-5-
InChIKeyGYSMDVHOKRXWJN-ZWSORDCHSA-N
MW307.53 g/mol
LogP3.08
Rot. Bonds6

About 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine

1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine (PubChem CID 142067869) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine
PubChem CID142067869
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine
SMILESC/C=C(/C)CC(CC)CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C19H37N3/c1-5-17(3)15-18(6-2)16-21-9-7-19(8-10-21)22-13-11-20(4)12-14-22/h5,18-19H,6-16H2,1-4H3/b17-5-
InChIKeyGYSMDVHOKRXWJN-ZWSORDCHSA-N
XLogP3.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2-ethylbutyl)piperidin-4-yl]morpholine
CID 39749745
1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine
CID 174302518
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol
CID 95111576
1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 176683518
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
(2S)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-ol
CID 103934988
1-(2-ethylbutyl)-4-(1-methylcyclopropyl)piperidine
CID 162741753

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine (CID 142067869) is 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine is C/C=C(/C)CC(CC)CN1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine?
The InChIKey is GYSMDVHOKRXWJN-ZWSORDCHSA-N. The full InChI is InChI=1S/C19H37N3/c1-5-17(3)15-18(6-2)16-21-9-7-19(8-10-21)22-13-11-20(4)12-14-22/h5,18-19H,6-16H2,1-4H3/b17-5-.
What are the key properties of 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine?
1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine has a molecular weight of 307.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 142067869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).