1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride

C14H25Cl2N3 — CID 171275055

IUPAC1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@@H](c1cccnc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H23N3.2ClH/c1-14(2,3)13(12-5-4-6-16-11-12)17-9-7-15-8-10-17;;/h4-6,11,13,15H,7-10H2,1-3H3;2*1H/t13-;;/m1../s1
InChIKeyUOOHFTREHJFZSR-FFXKMJQXSA-N
MW306.28 g/mol
LogP2.92
Rot. Bonds2

About 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride

1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride (PubChem CID 171275055) has the molecular formula C14H25Cl2N3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
PubChem CID171275055
Molecular FormulaC14H25Cl2N3
Molecular Weight306.28 g/mol
Exact Mass305.14
IUPAC Name1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
SMILESCC(C)(C)[C@@H](c1cccnc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H23N3.2ClH/c1-14(2,3)13(12-5-4-6-16-11-12)17-9-7-15-8-10-17;;/h4-6,11,13,15H,7-10H2,1-3H3;2*1H/t13-;;/m1../s1
InChIKeyUOOHFTREHJFZSR-FFXKMJQXSA-N
XLogP2.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171288986
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
1-[(1S)-2,2-difluoro-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171287666
1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol
CID 82286657
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
CID 171287672
3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]pyridin-2-amine;dihydrochloride
CID 171293862
1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171281692
1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171275053

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride (CID 171275055) is 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride is CC(C)(C)[C@@H](c1cccnc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride?
The InChIKey is UOOHFTREHJFZSR-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H23N3.2ClH/c1-14(2,3)13(12-5-4-6-16-11-12)17-9-7-15-8-10-17;;/h4-6,11,13,15H,7-10H2,1-3H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride?
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride has a molecular weight of 306.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).