1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine

C15H29NO — CID 142163968

IUPAC1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
SMILESCC(C)=CC(C)OCCCC1CCN(C)CC1
InChIInChI=1S/C15H29NO/c1-13(2)12-14(3)17-11-5-6-15-7-9-16(4)10-8-15/h12,14-15H,5-11H2,1-4H3
InChIKeyLWVNEGNWXNIUNK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.48
Rot. Bonds6

About 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine

1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine (PubChem CID 142163968) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
PubChem CID142163968
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
SMILESCC(C)=CC(C)OCCCC1CCN(C)CC1
InChIInChI=1S/C15H29NO/c1-13(2)12-14(3)17-11-5-6-15-7-9-16(4)10-8-15/h12,14-15H,5-11H2,1-4H3
InChIKeyLWVNEGNWXNIUNK-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.48
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

(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 19939730
3-Ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 54297161
4-(Cyclohex-2-en-1-yloxymethyl)-1-methylpiperidine
CID 68393346
8-Methyl-3-methylidene-4-pentylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428847
(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428979
1-[2-(3,5,5-Trimethylcyclohex-2-en-1-yl)oxyethyl]piperidine
CID 141773646
N-[2-(4-methoxycyclohex-2-en-1-yl)ethyl]-N-methylpropan-1-amine
CID 141784759
Ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
CID 142163967
4-[3-(4-Ethoxycyclohex-2-en-1-yl)propyl]-1-methylpiperidine
CID 170569337
N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine
CID 23261876
1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine
CID 45091339
1-[2-(2-Methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine
CID 117060396

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine?
The IUPAC name of 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine (CID 142163968) is 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine.
What is the SMILES notation for 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine?
The canonical SMILES for 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine is CC(C)=CC(C)OCCCC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine?
The InChIKey is LWVNEGNWXNIUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)12-14(3)17-11-5-6-15-7-9-16(4)10-8-15/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine?
1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine has a molecular weight of 239.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine is sourced from PubChem (CID 142163968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).