1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine

C13H25N3 — CID 59846094

IUPAC1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine
SMILESC1C[C@@H](CN2CCNCC2)CN(C2CC2)C1
InChIInChI=1S/C13H25N3/c1-2-12(10-15-8-5-14-6-9-15)11-16(7-1)13-3-4-13/h12-14H,1-11H2/t12-/m0/s1
InChIKeyCLVPHAODVXPRKB-LBPRGKRZSA-N
MW223.36 g/mol
LogP0.77
Rot. Bonds3

About 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine

1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine (PubChem CID 59846094) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine
PubChem CID59846094
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine
SMILESC1C[C@@H](CN2CCNCC2)CN(C2CC2)C1
InChIInChI=1S/C13H25N3/c1-2-12(10-15-8-5-14-6-9-15)11-16(7-1)13-3-4-13/h12-14H,1-11H2/t12-/m0/s1
InChIKeyCLVPHAODVXPRKB-LBPRGKRZSA-N
XLogP0.77
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine?
The IUPAC name of 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine (CID 59846094) is 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine is C1C[C@@H](CN2CCNCC2)CN(C2CC2)C1.
What is the InChIKey of 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine?
The InChIKey is CLVPHAODVXPRKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-12(10-15-8-5-14-6-9-15)11-16(7-1)13-3-4-13/h12-14H,1-11H2/t12-/m0/s1.
What are the key properties of 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine?
1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine has a molecular weight of 223.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine is sourced from PubChem (CID 59846094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).