1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine

C20H38N2 — CID 177223957

IUPAC1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine
SMILESC=C(C)C1CCN(CC2CCN(CCCCCC)CC2)CC1
InChIInChI=1S/C20H38N2/c1-4-5-6-7-12-21-13-8-19(9-14-21)17-22-15-10-20(11-16-22)18(2)3/h19-20H,2,4-17H2,1,3H3
InChIKeyMVZRMEBFDXWAHW-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.57
Rot. Bonds8

About 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine

1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine (PubChem CID 177223957) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine
PubChem CID177223957
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine
SMILESC=C(C)C1CCN(CC2CCN(CCCCCC)CC2)CC1
InChIInChI=1S/C20H38N2/c1-4-5-6-7-12-21-13-8-19(9-14-21)17-22-15-10-20(11-16-22)18(2)3/h19-20H,2,4-17H2,1,3H3
InChIKeyMVZRMEBFDXWAHW-UHFFFAOYSA-N
XLogP4.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine
CID 171070413
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898
1-dodecyl-4-(1-nitrosoethenyl)piperidine
CID 58479421
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
4-butyl-1-octylpiperidine
CID 171570418
1-octadecylpiperidine-4-carboxamide
CID 4134920
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
1-octylpiperidin-4-ol
CID 62022103
4-ethyl-1-hexylpiperidine;formonitrile
CID 175874680
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine (CID 177223957) is 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine is C=C(C)C1CCN(CC2CCN(CCCCCC)CC2)CC1.
What is the InChIKey of 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine?
The InChIKey is MVZRMEBFDXWAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-4-5-6-7-12-21-13-8-19(9-14-21)17-22-15-10-20(11-16-22)18(2)3/h19-20H,2,4-17H2,1,3H3.
What are the key properties of 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine?
1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine has a molecular weight of 306.54 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 177223957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).