(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine

C14H24N4 — CID 82891931

IUPAC(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESC[C@@H](NCCN1CCN(C)CC1)c1cccnc1
InChIInChI=1S/C14H24N4/c1-13(14-4-3-5-15-12-14)16-6-7-18-10-8-17(2)9-11-18/h3-5,12-13,16H,6-11H2,1-2H3/t13-/m1/s1
InChIKeyUTTNIDMJSMKXBX-CYBMUJFWSA-N
MW248.37 g/mol
LogP0.98
Rot. Bonds5

About (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine

(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 82891931) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID82891931
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESC[C@@H](NCCN1CCN(C)CC1)c1cccnc1
InChIInChI=1S/C14H24N4/c1-13(14-4-3-5-15-12-14)16-6-7-18-10-8-17(2)9-11-18/h3-5,12-13,16H,6-11H2,1-2H3/t13-/m1/s1
InChIKeyUTTNIDMJSMKXBX-CYBMUJFWSA-N
XLogP0.98
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114082694
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891295
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43308271
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine (CID 82891931) is (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine is C[C@@H](NCCN1CCN(C)CC1)c1cccnc1.
What is the InChIKey of (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is UTTNIDMJSMKXBX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N4/c1-13(14-4-3-5-15-12-14)16-6-7-18-10-8-17(2)9-11-18/h3-5,12-13,16H,6-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine?
(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 248.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 82891931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).