N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine

C17H26N4 — CID 66410814

IUPACN-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C17H26N4/c1-13(2)19-9-14-5-4-8-21(11-14)12-15-10-20-17-16(15)6-3-7-18-17/h3,6-7,10,13-14,19H,4-5,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyULYZHIHKCGLOIR-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.77
Rot. Bonds5

About N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 66410814) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID66410814
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C17H26N4/c1-13(2)19-9-14-5-4-8-21(11-14)12-15-10-20-17-16(15)6-3-7-18-17/h3,6-7,10,13-14,19H,4-5,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyULYZHIHKCGLOIR-UHFFFAOYSA-N
XLogP2.77
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 66413002
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415655
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241848
N-[[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241176
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
N-[[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241569
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114849863
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104792407
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 62580625

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine (CID 66410814) is N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(Cc2c[nH]c3ncccc23)C1.
What is the InChIKey of N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is ULYZHIHKCGLOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)19-9-14-5-4-8-21(11-14)12-15-10-20-17-16(15)6-3-7-18-17/h3,6-7,10,13-14,19H,4-5,8-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66410814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).