(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine

C8H19N3 — CID 99942865

IUPAC(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine
SMILESCCN1CC[C@@H](N)[C@@H](CN)C1
InChIInChI=1S/C8H19N3/c1-2-11-4-3-8(10)7(5-9)6-11/h7-8H,2-6,9-10H2,1H3/t7-,8+/m0/s1
InChIKeyBFUUGWKTMQRESV-JGVFFNPUSA-N
MW157.26 g/mol
LogP-0.39
Rot. Bonds2

About (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine

(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine (PubChem CID 99942865) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine
PubChem CID99942865
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine
SMILESCCN1CC[C@@H](N)[C@@H](CN)C1
InChIInChI=1S/C8H19N3/c1-2-11-4-3-8(10)7(5-9)6-11/h7-8H,2-6,9-10H2,1H3/t7-,8+/m0/s1
InChIKeyBFUUGWKTMQRESV-JGVFFNPUSA-N
XLogP-0.39
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylpiperidine-4-methylamine
CID 81574
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
N,N-Dimethylpiperidin-4-amine
CID 417391
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-Methyl-4-(methylamino)piperidine
CID 566323
1-Ethylpiperidin-4-amine
CID 3734990
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
(1-Cyclopentylpiperidin-4-yl)methanamine
CID 3157468
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
CID 6487611

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine (CID 99942865) is (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine is CCN1CC[C@@H](N)[C@@H](CN)C1.
What is the InChIKey of (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine?
The InChIKey is BFUUGWKTMQRESV-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H19N3/c1-2-11-4-3-8(10)7(5-9)6-11/h7-8H,2-6,9-10H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine?
(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine has a molecular weight of 157.26 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 99942865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).