1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine

C17H29N3O — CID 114526509

IUPAC1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine
SMILESCc1cc(N2CCC(N)CC2)ccc1OCCCN(C)C
InChIInChI=1S/C17H29N3O/c1-14-13-16(20-10-7-15(18)8-11-20)5-6-17(14)21-12-4-9-19(2)3/h5-6,13,15H,4,7-12,18H2,1-3H3
InChIKeyHCQWDXKDRXCJFY-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.25
Rot. Bonds6

About 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine

1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine (PubChem CID 114526509) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine
PubChem CID114526509
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine
SMILESCc1cc(N2CCC(N)CC2)ccc1OCCCN(C)C
InChIInChI=1S/C17H29N3O/c1-14-13-16(20-10-7-15(18)8-11-20)5-6-17(14)21-12-4-9-19(2)3/h5-6,13,15H,4,7-12,18H2,1-3H3
InChIKeyHCQWDXKDRXCJFY-UHFFFAOYSA-N
XLogP2.25
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine?
The IUPAC name of 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine (CID 114526509) is 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine?
The canonical SMILES for 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine is Cc1cc(N2CCC(N)CC2)ccc1OCCCN(C)C.
What is the InChIKey of 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine?
The InChIKey is HCQWDXKDRXCJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-13-16(20-10-7-15(18)8-11-20)5-6-17(14)21-12-4-9-19(2)3/h5-6,13,15H,4,7-12,18H2,1-3H3.
What are the key properties of 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine?
1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine is sourced from PubChem (CID 114526509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).