1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine

C20H40N2 — CID 59567137

IUPAC1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine
SMILESCC(C)[C@H](CN1CCCCC1)[C@@H](CN1CCCCC1)C(C)C
InChIInChI=1S/C20H40N2/c1-17(2)19(15-21-11-7-5-8-12-21)20(18(3)4)16-22-13-9-6-10-14-22/h17-20H,5-16H2,1-4H3/t19-,20-/m0/s1
InChIKeyIVINKGIGIIAOKD-PMACEKPBSA-N
MW308.55 g/mol
LogP4.50
Rot. Bonds7

About 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine

1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine (PubChem CID 59567137) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine.

Molecular Properties

Compound Name1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine
PubChem CID59567137
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine
SMILESCC(C)[C@H](CN1CCCCC1)[C@@H](CN1CCCCC1)C(C)C
InChIInChI=1S/C20H40N2/c1-17(2)19(15-21-11-7-5-8-12-21)20(18(3)4)16-22-13-9-6-10-14-22/h17-20H,5-16H2,1-4H3/t19-,20-/m0/s1
InChIKeyIVINKGIGIIAOKD-PMACEKPBSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine?
The IUPAC name of 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine (CID 59567137) is 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine.
What is the SMILES notation for 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine?
The canonical SMILES for 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine is CC(C)[C@H](CN1CCCCC1)[C@@H](CN1CCCCC1)C(C)C.
What is the InChIKey of 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine?
The InChIKey is IVINKGIGIIAOKD-PMACEKPBSA-N. The full InChI is InChI=1S/C20H40N2/c1-17(2)19(15-21-11-7-5-8-12-21)20(18(3)4)16-22-13-9-6-10-14-22/h17-20H,5-16H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine?
1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine has a molecular weight of 308.55 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine is sourced from PubChem (CID 59567137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).