N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine

C16H23N3 — CID 115145493

IUPACN-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C16H23N3/c1-16(2)9-13(7-8-19-16)17-10-12-11-18-15-6-4-3-5-14(12)15/h3-6,11,13,17-19H,7-10H2,1-2H3
InChIKeyVLNUQSKJXLRVTA-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.79
Rot. Bonds3

About N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine

N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine (PubChem CID 115145493) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine
PubChem CID115145493
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C16H23N3/c1-16(2)9-13(7-8-19-16)17-10-12-11-18-15-6-4-3-5-14(12)15/h3-6,11,13,17-19H,7-10H2,1-2H3
InChIKeyVLNUQSKJXLRVTA-UHFFFAOYSA-N
XLogP2.79
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965535
N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 61221927
N-(1H-indol-3-ylmethyl)-2-methylcyclopropan-1-amine
CID 62396352
N-(1H-indol-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 55062011
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide
CID 62330627
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 17487739
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 60663725
[1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol
CID 62553319
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine (CID 115145493) is N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine is CC1(C)CC(NCc2c[nH]c3ccccc23)CCN1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine?
The InChIKey is VLNUQSKJXLRVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2)9-13(7-8-19-16)17-10-12-11-18-15-6-4-3-5-14(12)15/h3-6,11,13,17-19H,7-10H2,1-2H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine?
N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 115145493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).