3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine

C29H43N3O — CID 70001112

IUPAC3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCCCCCCCN1CCC(CNCCCOc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C29H43N3O/c1-2-3-4-5-6-9-19-32-20-16-24(17-21-32)23-30-18-11-22-33-28-15-10-14-27-29(28)25-12-7-8-13-26(25)31-27/h7-8,10,12-15,24,30-31H,2-6,9,11,16-23H2,1H3
InChIKeyZVNFXIBZGSQVHW-UHFFFAOYSA-N
MW449.68 g/mol
LogP6.75
Rot. Bonds14

About 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine

3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine (PubChem CID 70001112) has the molecular formula C29H43N3O and a molecular weight of 449.68 g/mol. Its IUPAC name is 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine
PubChem CID70001112
Molecular FormulaC29H43N3O
Molecular Weight449.68 g/mol
Exact Mass449.34
IUPAC Name3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCCCCCCCN1CCC(CNCCCOc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C29H43N3O/c1-2-3-4-5-6-9-19-32-20-16-24(17-21-32)23-30-18-11-22-33-28-15-10-14-27-29(28)25-12-7-8-13-26(25)31-27/h7-8,10,12-15,24,30-31H,2-6,9,11,16-23H2,1H3
InChIKeyZVNFXIBZGSQVHW-UHFFFAOYSA-N
XLogP6.75
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
2-(2-bromoethoxy)-N-[(1-butylpiperidin-4-yl)methyl]-1H-indole-3-carboxamide
CID 10789037
N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride
CID 67829601
N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine
CID 143717963
(1-butylpiperidin-4-yl)methyl 2-(4-chlorobutoxy)-1H-indole-3-carboxylate
CID 10835943
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162317183
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162308822
1-[4-[[4-(hexylamino)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone
CID 139906733
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
(2S)-1-(9H-carbazol-4-yloxy)-3-(1-piperidin-4-ylhexadecylamino)propan-2-ol
CID 70001402
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine (CID 70001112) is 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine is CCCCCCCCN1CCC(CNCCCOc2cccc3[nH]c4ccccc4c23)CC1.
What is the InChIKey of 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is ZVNFXIBZGSQVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O/c1-2-3-4-5-6-9-19-32-20-16-24(17-21-32)23-30-18-11-22-33-28-15-10-14-27-29(28)25-12-7-8-13-26(25)31-27/h7-8,10,12-15,24,30-31H,2-6,9,11,16-23H2,1H3.
What are the key properties of 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine?
3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 449.68 g/mol, XLogP of 6.75, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-4-yloxy)-N-[(1-octylpiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 70001112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).