N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine

C27H37N3 — CID 129206446

IUPACN,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc2cc(CN3CCC(CCc4ccccc4)CC3)ccc21
InChIInChI=1S/C27H37N3/c1-28(2)16-6-17-30-20-15-26-21-25(11-12-27(26)30)22-29-18-13-24(14-19-29)10-9-23-7-4-3-5-8-23/h3-5,7-8,11-12,15,20-21,24H,6,9-10,13-14,16-19,22H2,1-2H3
InChIKeyIOKRMUIXVZTUDV-UHFFFAOYSA-N
MW403.61 g/mol
LogP5.44
Rot. Bonds9

About N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine

N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine (PubChem CID 129206446) has the molecular formula C27H37N3 and a molecular weight of 403.61 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine
PubChem CID129206446
Molecular FormulaC27H37N3
Molecular Weight403.61 g/mol
Exact Mass403.30
IUPAC NameN,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc2cc(CN3CCC(CCc4ccccc4)CC3)ccc21
InChIInChI=1S/C27H37N3/c1-28(2)16-6-17-30-20-15-26-21-25(11-12-27(26)30)22-29-18-13-24(14-19-29)10-9-23-7-4-3-5-8-23/h3-5,7-8,11-12,15,20-21,24H,6,9-10,13-14,16-19,22H2,1-2H3
InChIKeyIOKRMUIXVZTUDV-UHFFFAOYSA-N
XLogP5.44
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22530
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CID 42631003
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CID 60691
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CID 3081185
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CID 23492
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CID 30438
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CID 6836
CID 6836

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine (CID 129206446) is N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine is CN(C)CCCn1ccc2cc(CN3CCC(CCc4ccccc4)CC3)ccc21.
What is the InChIKey of N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine?
The InChIKey is IOKRMUIXVZTUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3/c1-28(2)16-6-17-30-20-15-26-21-25(11-12-27(26)30)22-29-18-13-24(14-19-29)10-9-23-7-4-3-5-8-23/h3-5,7-8,11-12,15,20-21,24H,6,9-10,13-14,16-19,22H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine?
N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine has a molecular weight of 403.61 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine is sourced from PubChem (CID 129206446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).