4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole

C25H32N2 — CID 70545083

IUPAC4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole
SMILESCc1ccc(C)c2c(CCCCN3CCC(c4ccccc4)CC3)c[nH]c12
InChIInChI=1S/C25H32N2/c1-19-11-12-20(2)25-24(19)23(18-26-25)10-6-7-15-27-16-13-22(14-17-27)21-8-4-3-5-9-21/h3-5,8-9,11-12,18,22,26H,6-7,10,13-17H2,1-2H3
InChIKeyHTGHWMNSUQWKMS-UHFFFAOYSA-N
MW360.55 g/mol
LogP5.99
Rot. Bonds6

About 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole

4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole (PubChem CID 70545083) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole.

Molecular Properties

Compound Name4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole
PubChem CID70545083
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole
SMILESCc1ccc(C)c2c(CCCCN3CCC(c4ccccc4)CC3)c[nH]c12
InChIInChI=1S/C25H32N2/c1-19-11-12-20(2)25-24(19)23(18-26-25)10-6-7-15-27-16-13-22(14-17-27)21-8-4-3-5-9-21/h3-5,8-9,11-12,18,22,26H,6-7,10,13-17H2,1-2H3
InChIKeyHTGHWMNSUQWKMS-UHFFFAOYSA-N
XLogP5.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
CID 70542429
[3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412080
1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
CID 70547247
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
7-bromo-3-[4-(3-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70046544
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride
CID 18702258
3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide
CID 19786736
3-methyl-6-[4-(4-phenylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
CID 21474237

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole?
The IUPAC name of 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole (CID 70545083) is 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole.
What is the SMILES notation for 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole?
The canonical SMILES for 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole is Cc1ccc(C)c2c(CCCCN3CCC(c4ccccc4)CC3)c[nH]c12.
What is the InChIKey of 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole?
The InChIKey is HTGHWMNSUQWKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/c1-19-11-12-20(2)25-24(19)23(18-26-25)10-6-7-15-27-16-13-22(14-17-27)21-8-4-3-5-9-21/h3-5,8-9,11-12,18,22,26H,6-7,10,13-17H2,1-2H3.
What are the key properties of 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole?
4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole has a molecular weight of 360.55 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole is sourced from PubChem (CID 70545083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).