4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine

C14H24N2O — CID 71228224

IUPAC4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=C(OCCCN2CCCCC2)CC1
InChIInChI=1S/C14H24N2O/c15-13-5-7-14(8-6-13)17-12-4-11-16-9-2-1-3-10-16/h5,7H,1-4,6,8-12,15H2
InChIKeySDBOMBXVRPNSNR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.40
Rot. Bonds5

About 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine

4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine (PubChem CID 71228224) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine
PubChem CID71228224
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=C(OCCCN2CCCCC2)CC1
InChIInChI=1S/C14H24N2O/c15-13-5-7-14(8-6-13)17-12-4-11-16-9-2-1-3-10-16/h5,7H,1-4,6,8-12,15H2
InChIKeySDBOMBXVRPNSNR-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine (CID 71228224) is 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine is NC1=CC=C(OCCCN2CCCCC2)CC1.
What is the InChIKey of 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine?
The InChIKey is SDBOMBXVRPNSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-13-5-7-14(8-6-13)17-12-4-11-16-9-2-1-3-10-16/h5,7H,1-4,6,8-12,15H2.
What are the key properties of 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine?
4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylpropoxy)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71228224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).