N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine

C23H35N3 — CID 158440647

IUPACN-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESCc1ccc2c(c1)c(CNCC1CCNCC1)cn2CC1CCCCC1
InChIInChI=1S/C23H35N3/c1-18-7-8-23-22(13-18)21(15-25-14-19-9-11-24-12-10-19)17-26(23)16-20-5-3-2-4-6-20/h7-8,13,17,19-20,24-25H,2-6,9-12,14-16H2,1H3
InChIKeyINTQQDPHJXEOBK-UHFFFAOYSA-N
MW353.55 g/mol
LogP4.62
Rot. Bonds6

About N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine

N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 158440647) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID158440647
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC NameN-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESCc1ccc2c(c1)c(CNCC1CCNCC1)cn2CC1CCCCC1
InChIInChI=1S/C23H35N3/c1-18-7-8-23-22(13-18)21(15-25-14-19-9-11-24-12-10-19)17-26(23)16-20-5-3-2-4-6-20/h7-8,13,17,19-20,24-25H,2-6,9-12,14-16H2,1H3
InChIKeyINTQQDPHJXEOBK-UHFFFAOYSA-N
XLogP4.62
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine (CID 158440647) is N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine is Cc1ccc2c(c1)c(CNCC1CCNCC1)cn2CC1CCCCC1.
What is the InChIKey of N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is INTQQDPHJXEOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3/c1-18-7-8-23-22(13-18)21(15-25-14-19-9-11-24-12-10-19)17-26(23)16-20-5-3-2-4-6-20/h7-8,13,17,19-20,24-25H,2-6,9-12,14-16H2,1H3.
What are the key properties of N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine?
N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 353.55 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)-5-methylindol-3-yl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 158440647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).