N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine

C16H28N2O — CID 144922631

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine
SMILESCOCCCN1CCC(NCC2=CCCC=C2)CC1
InChIInChI=1S/C16H28N2O/c1-19-13-5-10-18-11-8-16(9-12-18)17-14-15-6-3-2-4-7-15/h3,6-7,16-17H,2,4-5,8-14H2,1H3
InChIKeyNLQGUQJMVUQAPM-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.35
Rot. Bonds7

About N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine

N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine (PubChem CID 144922631) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine
PubChem CID144922631
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine
SMILESCOCCCN1CCC(NCC2=CCCC=C2)CC1
InChIInChI=1S/C16H28N2O/c1-19-13-5-10-18-11-8-16(9-12-18)17-14-15-6-3-2-4-7-15/h3,6-7,16-17H,2,4-5,8-14H2,1H3
InChIKeyNLQGUQJMVUQAPM-UHFFFAOYSA-N
XLogP2.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite
CID 142416916
5-piperidin-4-yl-4aH-benzo[d][2,3]benzoxazepine
CID 18785556
N-[(2-aminocyclohexa-1,3-dien-1-yl)methyl]-N-(methoxymethyl)piperidin-4-amine
CID 71154231
N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 90137191
4-Ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 91378889
1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine
CID 118873050
1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
CID 123724092
N-[(3-ethyl-6-piperidin-1-ylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
CID 123994299
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 129045607
1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine
CID 139516171
N-methyl-1-[(2E)-2-prop-2-enylpenta-2,4-dienyl]piperidin-4-amine
CID 142817561
1-(Cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine
CID 142920845

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine (CID 144922631) is N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine is COCCCN1CCC(NCC2=CCCC=C2)CC1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine?
The InChIKey is NLQGUQJMVUQAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-19-13-5-10-18-11-8-16(9-12-18)17-14-15-6-3-2-4-7-15/h3,6-7,16-17H,2,4-5,8-14H2,1H3.
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine?
N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine has a molecular weight of 264.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine is sourced from PubChem (CID 144922631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).